CBKinase1_005624
TL;DR: CBKinase1_005624 (CAS 701226-38-2) is a chemical compound with molecular formula C22H18ClN5OS and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-aminophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
Also Known As: CBKinase1_005624, CBKinase1_018024, BRD-K80139573-001-01-9, 2-[[5-(3-aminophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide, 2-{[5-(3-aminophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
| Molecular Formula | C22H18ClN5OS |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 4.9007 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.09207 |
| Heavy Atoms | 30 |
| Complexity | 1179.1337 |
Chemical Identifiers
| CAS Number | 701226-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Cl)C4=CC(=CC=C4)N |
Product Overview
CBKinase1_005624 (CAS 701226-38-2), with molecular formula C22H18ClN5OS and molecular weight 435.09 g/mol. IUPAC: 2-[[5-(3-aminophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide.
Chemical Property Profile of CBKinase1_005624
Property Insights of CBKinase1_005624
The XLogP value of 4.9007 indicates that CBKinase1_005624 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005624. Following Lipinski's Rule of Five, CBKinase1_005624 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_005624?
The CAS number of CBKinase1_005624 is 701226-38-2.
What is the molecular formula of CBKinase1_005624?
The molecular formula of CBKinase1_005624 is C22H18ClN5OS.
What is the molecular weight of CBKinase1_005624?
The molecular weight of CBKinase1_005624 is 435.09 g/mol.
Where can I buy CBKinase1_005624?
You can request a quote for CBKinase1_005624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005624?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.