Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical  /  Organic Intermediates  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Hormones and synthetic substitutes
2,4(1H,3H)-Pyrimidinedione, 3-[(2R)-2-[[(2R)-2-amino-2-phenylethyl]amino]-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl- structure
2,4(1H,3H)-Pyrimidinedione, 3-[(2R)-2-[[(2R)-2-amino-2-phenylethyl]amino]-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl- structure

2,4(1H,3H)-Pyrimidinedione, 3-[(2R)-2-[[(2R)-2-amino-2-phenylethyl]amino]-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-

Iupac Name:[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
CAS No.:96829-58-2
Molecular Weight:495.745
1. Names and Identifiers
1.1 Name
2,4(1H,3H)-Pyrimidinedione, 3-[(2R)-2-[[(2R)-2-amino-2-phenylethyl]amino]-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-
1.2 CAS No.
96829-58-2
1.3 CID
3034010
1.4 Molecular Formula
C25H17BO3 (isomer)
1.5 Inchi
InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
1.6 InChkey
AHLBNYSZXLDEJQ-FWEHEUNISA-N
1.7 Canonical Smiles
CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O
1.8 Isomers Smiles
CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
2. Properties
3.1 Density
1.171±0.06 g/cm3(Predicted)
3.1 Melting point
<50oC
3.1 Boiling point
259.7±40.0 °C at 760 mmHg
3.1 Refractive index
1.469
3.1 Vapour pressure
9.77X10-14 mm Hg at 25 deg C (est)
3.1 Precise Quality
495.39200
3.1 PSA
81.70000
3.1 logP
7.90870
3. Safety and Handling
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4.1 RTECS
OH3167600
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:495.745g/mol
  • Molecular Formula:C25H17BO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:10
  • Exact Mass:495.39237379
  • Monoisotopic Mass:495.39237379
  • Complexity:579
  • Rotatable Bond Count:23
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:81.7
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
  • Orlistat is an internationally recognized new form of weight loss drug. Its commercial name is Sainike and first went on sale in New Zealand in 1998. Orlistat is a long-term and highly effective specific gastrointestinal lipase inhibitor, and it is insoluble in water, soluble in chloroform, and eas...
7. Recommended Suppliers
Global480SuppliersView all >>
  • Products:Sarms,peptides,nootropic,steroids and local anesthesia Raw Chemical powder
  • Tel:86-189-42921723
  • Email:info@dmksw.xin
High Quality Orlistat Powder for sale with Good Price CAS:96829-58-2
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 15 USD/bag
  • Time: 2022/05/20
Inquire
  • Products:5413-05-8 Ethyl 2-phenylacetoacetate; 16648-44-5 BMK powder; 13605-48-6 Pmk glycidate; 79099-07-3 N-BOC-4-piperidone; 49851-31-2 2-bromo-1-phenylpentan-1-one; 288573-56-8
  • Tel:86-27-18507151381
  • Email:Ann@hanhong-api.com
High Quality Factory Supply Orlistat Powder CAS 96829-58-2
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 30 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Organic intermediates, Organic solvents,Cosmetic raw materials ...
  • Tel:00-86-18034554576
  • Email:Julia@hbzebo.com
Low Price Orlistat CAS Number 96829-58-2
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2022/05/20
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Orlistat
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 50 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:high quality chemical raw materials, polymer functional modified materials, cosmetics production raw materials, new composite materials.
  • Tel:00-86-13283434511
  • Email:243531060@qq.com
cas 96829-58-2 Orlistat
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/05/20
Inquire