CBKinase1_008990
TL;DR: CBKinase1_008990 (CAS 577696-44-7) is a chemical compound with molecular formula C22H19N5OS and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
Also Known As: CBKinase1_008990, CBKinase1_021390, BRD-K44203901-001-01-1, N-(biphenyl-2-yl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-(4-methyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide
| Molecular Formula | C22H19N5OS |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.2749 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.13104 |
| Heavy Atoms | 29 |
| Complexity | 1112.528 |
Chemical Identifiers
| CAS Number | 577696-44-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=CC=CC=N4 |
Product Overview
CBKinase1_008990 (CAS 577696-44-7), with molecular formula C22H19N5OS and molecular weight 401.13 g/mol. IUPAC: 2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.
Chemical Property Profile of CBKinase1_008990
Property Insights of CBKinase1_008990
The XLogP value of 4.2749 indicates that CBKinase1_008990 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_008990. Following Lipinski's Rule of Five, CBKinase1_008990 has 1 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_008990?
The CAS number of CBKinase1_008990 is 577696-44-7.
What is the molecular formula of CBKinase1_008990?
The molecular formula of CBKinase1_008990 is C22H19N5OS.
What is the molecular weight of CBKinase1_008990?
The molecular weight of CBKinase1_008990 is 401.13 g/mol.
Where can I buy CBKinase1_008990?
You can request a quote for CBKinase1_008990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008990?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.