ChemDiv1_009648
TL;DR: ChemDiv1_009648 (CAS 400863-54-9) is a chemical compound with molecular formula C27H21F3N6O3S2 and molecular weight 598.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Also Known As: ChemDiv1_009648, 3-AMINO-N-(4-{[(4,6-DIMETHYL-2-PYRIMIDINYL)AMINO]SULFONYL}PHENYL)-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, 3-AMINO-N-(4-(((4,6-DIMETHYL-2-PYRIMIDINYL)AMINO)SULFONYL)PHENYL)-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO(2,3-B)PYRIDINE-2-CARBOXAMIDE, 3-Amino-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide, 3-amino-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
| Molecular Formula | C27H21F3N6O3S2 |
|---|---|
| Molecular Weight | 598.11 g/mol |
| LogP | 6.02424 |
| Topological Polar Surface Area | 139.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 598.1069 |
| Heavy Atoms | 41 |
| Complexity | 1872.0521 |
Chemical Identifiers
| CAS Number | 400863-54-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)N=C(C=C4C(F)(F)F)C5=CC=CC=C5)N)C |
Product Overview
ChemDiv1_009648 (CAS 400863-54-9), with molecular formula C27H21F3N6O3S2 and molecular weight 598.11 g/mol. IUPAC: 3-amino-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
Chemical Property Profile of ChemDiv1_009648
Property Insights of ChemDiv1_009648
The XLogP value of 6.02424 indicates that ChemDiv1_009648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009648. Following Lipinski's Rule of Five, ChemDiv1_009648 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009648?
The CAS number of ChemDiv1_009648 is 400863-54-9.
What is the molecular formula of ChemDiv1_009648?
The molecular formula of ChemDiv1_009648 is C27H21F3N6O3S2.
What is the molecular weight of ChemDiv1_009648?
The molecular weight of ChemDiv1_009648 is 598.11 g/mol.
Where can I buy ChemDiv1_009648?
You can request a quote for ChemDiv1_009648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009648?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.