CBKinase1_007022
TL;DR: CBKinase1_007022 (CAS 701925-40-8) is a chemical compound with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
Also Known As: CBKinase1_007022, CBKinase1_019422, BAS 08851537, N-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-2-(4-methoxy-phenyl)-acetamide, BRD-K80317638-001-01-4
| Molecular Formula | C13H16N4O2S |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 1.34519 |
| Topological Polar Surface Area | 71.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.0994 |
| Heavy Atoms | 20 |
| Complexity | 645.1359 |
Chemical Identifiers
| CAS Number | 701925-40-8 |
|---|---|
| SMILES | CN1C(=NNC1=S)CNC(=O)CC2=CC=C(C=C2)OC |
Product Overview
CBKinase1_007022 (CAS 701925-40-8), with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol. IUPAC: 2-(4-methoxyphenyl)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide.
Chemical Property Profile of CBKinase1_007022
Property Insights of CBKinase1_007022
The XLogP value of 1.34519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_007022. The TPSA of 71.94 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007022. Following Lipinski's Rule of Five, CBKinase1_007022 has 2 hydrogen bond donor(s) and 4 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_007022?
The CAS number of CBKinase1_007022 is 701925-40-8.
What is the molecular formula of CBKinase1_007022?
The molecular formula of CBKinase1_007022 is C13H16N4O2S.
What is the molecular weight of CBKinase1_007022?
The molecular weight of CBKinase1_007022 is 292.10 g/mol.
Where can I buy CBKinase1_007022?
You can request a quote for CBKinase1_007022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007022?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.