CBKinase1_009531
TL;DR: CBKinase1_009531 (CAS 774587-95-0) is a chemical compound with molecular formula C27H19N3O3S and molecular weight 465.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-phenyl-2-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
Also Known As: CBKinase1_009531, CBKinase1_021931, BRD-K63027333-001-01-8, Methyl 5-phenyl-2-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate, methyl 5-phenyl-2-({[2-(pyridin-3-yl)quinolin-4-yl]carbonyl}amino)thiophene-3-carboxylate
| Molecular Formula | C27H19N3O3S |
|---|---|
| Molecular Weight | 465.11 g/mol |
| LogP | 6.0642 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.11472 |
| Heavy Atoms | 34 |
| Complexity | 1498.161 |
Chemical Identifiers
| CAS Number | 774587-95-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5 |
Product Overview
CBKinase1_009531 (CAS 774587-95-0), with molecular formula C27H19N3O3S and molecular weight 465.11 g/mol. IUPAC: methyl 5-phenyl-2-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_009531
Property Insights of CBKinase1_009531
The XLogP value of 6.0642 indicates that CBKinase1_009531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009531. Following Lipinski's Rule of Five, CBKinase1_009531 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_009531?
The CAS number of CBKinase1_009531 is 774587-95-0.
What is the molecular formula of CBKinase1_009531?
The molecular formula of CBKinase1_009531 is C27H19N3O3S.
What is the molecular weight of CBKinase1_009531?
The molecular weight of CBKinase1_009531 is 465.11 g/mol.
Where can I buy CBKinase1_009531?
You can request a quote for CBKinase1_009531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009531?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.