CBKinase1_002960
TL;DR: CBKinase1_002960 (CAS 113518-48-2) 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.
N-(4-methylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_002960, CBKinase1_015360, 2-((4-Phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide, BAS 01377637, Acetamide, N-(4-methylphenyl)-2-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-
| Molecular Formula | C22H19N5OS |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.36852 |
| 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 | 1095.278 |
Chemical Identifiers
| CAS Number | 113518-48-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
CBKinase1_002960 (CAS 113518-48-2), with molecular formula C22H19N5OS and molecular weight 401.13 g/mol. IUPAC: N-(4-methylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002960
Property Insights of CBKinase1_002960
The XLogP value of 4.36852 indicates that CBKinase1_002960 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_002960. Following Lipinski's Rule of Five, CBKinase1_002960 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_002960?
The CAS number of CBKinase1_002960 is 113518-48-2.
What is the molecular formula of CBKinase1_002960?
The molecular formula of CBKinase1_002960 is C22H19N5OS.
What is the molecular weight of CBKinase1_002960?
The molecular weight of CBKinase1_002960 is 401.13 g/mol.
Where can I buy CBKinase1_002960?
You can request a quote for CBKinase1_002960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002960?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.