CBKinase1_004359
TL;DR: CBKinase1_004359 (CAS 613226-10-1) is a chemical compound with molecular formula C27H20ClN5OS and molecular weight 497.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
Also Known As: CBKinase1_004359, CBKinase1_016759, BRD-K58460335-001-01-6, N-(biphenyl-2-yl)-2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
| Molecular Formula | C27H20ClN5OS |
|---|---|
| Molecular Weight | 497.11 g/mol |
| LogP | 6.3805 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.1077 |
| Heavy Atoms | 35 |
| Complexity | 1439.9504 |
Chemical Identifiers
| CAS Number | 613226-10-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=NC=C5 |
Product Overview
CBKinase1_004359 (CAS 613226-10-1), with molecular formula C27H20ClN5OS and molecular weight 497.11 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004359
Property Insights of CBKinase1_004359
The XLogP value of 6.3805 indicates that CBKinase1_004359 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004359. Following Lipinski's Rule of Five, CBKinase1_004359 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004359?
The CAS number of CBKinase1_004359 is 613226-10-1.
What is the molecular formula of CBKinase1_004359?
The molecular formula of CBKinase1_004359 is C27H20ClN5OS.
What is the molecular weight of CBKinase1_004359?
The molecular weight of CBKinase1_004359 is 497.11 g/mol.
Where can I buy CBKinase1_004359?
You can request a quote for CBKinase1_004359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004359?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.