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Andarine structure
Andarine structure

Andarine

Iupac Name:(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CAS No.:401900-40-1
Molecular Weight:441.363
Introduction: It is a potent and tissue-selective androgen receptor modulator (SARM) AndarineSupplier
1. Names and Identifiers
1.1 Name
Andarine
1.2 Synonyms

(1132656-73-5) ostarine Andarine(S4) whnohe_caroline(at)163.com Andarine(S4),whnohe_lucy(at)163.com b68 CS-418 N-[4-Nitro-3-(trifluoromethyl)phenyl]-(2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methylpropanamide Ostarine S-3-(4-acetylamino-phenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide S4 Powder Andarine GTX-007 SARM Steroids CAS 401900-40-1 for Muscle Building,mk-2866,MK-2866

1.3 CAS No.
401900-40-1
1.4 CID
9824562
1.5 Molecular Formula
C19H18F3N3O6 (isomer)
1.6 Inchi
InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
1.7 InChkey
YVXVTLGIDOACBJ-SFHVURJKSA-N
1.8 Canonical Smiles
CC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O
1.9 Isomers Smiles
CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O
2. Properties
3.1 Density
1.47
3.2 Melting Point
70-74 °C
3.3 Boiling Point
698.735 °C at 760 mmHg
3.4 Refractive Index
1.605
3.5 Flash Point
698.735 °C at 760 mmHg
3.6 Appearance
Pale yellow solid
3.7 Chemical Properties
Pale Yellow Solid
3.8 pKa
12.13±0.29(Predicted)
3.9 StorageTemp
Refrigerator
3. Use and Manufacturing
4.1 Usage
It is a potent and tissue-selective androgen receptor modulator (SARM) AndarineSupplier
4. Safety and Handling
5.1 Risk Statements
36
5.2 Specification

The Ostarine, with CAS registry number 401900-40-1, belongs to the following product category: APIs. It has the systematic name of (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide. Besides this, it is also called propanamide, 3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-, (2S)-. And the chemical formula of this chemical is C19H18F3N3O6.

Physical properties of Ostarine: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 655; (6)ACD/BCF (pH 7.4): 655; (7)ACD/KOC (pH 5.5): 3608; (8)ACD/KOC (pH 7.4): 3608; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 133.48 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 103.338 cm3; (15)Molar Volume: 299.912 cm3; (16)Polarizability: 40.966×10-24cm3; (17)Surface Tension: 53.428 dyne/cm; (18)Enthalpy of Vaporization: 107.431 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)[C@@](O)(COc2ccc(cc2)NC(=O)C)C
(2)InChI: InChI=1/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
(3)InChIKey: YVXVTLGIDOACBJ-SFHVURJKBR
(4)Std. InChI: InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
(5)Std. InChIKey: YVXVTLGIDOACBJ-SFHVURJKSA-N

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:441.363g/mol
  • Molecular Formula:C19H18F3N3O6
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.2
  • Exact Mass:441.11476979
  • Monoisotopic Mass:441.11476979
  • Complexity:663
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:134
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
7. Question & Answer
  • What is Andarine? May 16 2020
    Andarine ((2R)-3-(4-Cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy- 2-methyl propanamide; MK-2866; Propanamide, 3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl -N-[4-nitro-3-(trifluoromethyl)phenyl]-, (2S)-; sarM s4; 3-(4-acetaMidophenoxy)-2-hydroxy -2-Methyl-N-[4-nitro-3-(trifluoroMet...
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