Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates
DTXSID60703989 structure
DTXSID60703989 structure

DTXSID60703989

Iupac Name:1-(2,6-dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
CAS No.:383150-41-2
Molecular Weight:408.28506
1. Names and Identifiers
1.1 Name
DTXSID60703989
1.2 Synonyms

(2e)-2-(methoxyimino)-n-(4,4,4-trifluorobutoxy)acetamide

1.3 CAS No.
383150-41-2
1.4 CID
10223146
1.5 Molecular Formula
C19H14FN3O3 (isomer)
1.6 Inchi
InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
1.7 InChkey
RNSLRQNDXRSASX-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C
1.9 Isomers Smiles
CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C
2. Properties
3.1 Refractive index
1.697
3.1 Precise Quality
407.102814
3.1 PSA
96.76
3.1 logP
4.42
3. Safety and Handling
4.1 Symbol
GHS06
4.1 Signal Word
Danger
4.1 Risk Statements
25
4.1 Safety Statements
45
4.1 Hazard Declaration
H301
4.1 RIDADR
UN 2811 6.1 / PGIII
4.1 Caution Statement
P301 + P310
4.1 WGK Germany
3
4. Computational chemical data
  • Molecular Weight:408.28506g/mol
  • Molecular Formula:C19H14FN3O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.4
  • Exact Mass:407.1028136
  • Monoisotopic Mass:407.1028136
  • Complexity:516
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:96.8
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
5. Recommended Suppliers
Global3SuppliersView all >>
JTE-013
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/03/31
Inquire
  • Tel:+1-(734)-975-3939
JTE-013
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire