AB01307095-01
TL;DR: AB01307095-01 (CAS 588712-39-4) is a chemical compound with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-5-methylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: AB01307095-01, N-(2-chloro-5-methylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-chloro-5-methylphenyl)-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, 2-(4,5-dimethyl(1,2,4-triazol-3-ylthio))-N-(2-chloro-5-methylphenyl)acetamide, N-(2-chloro-5-methyl-phenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C13H15ClN4OS |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 2.81614 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.06552 |
| Heavy Atoms | 20 |
| Complexity | 641.2966 |
Chemical Identifiers
| CAS Number | 588712-39-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C)C |
Product Overview
AB01307095-01 (CAS 588712-39-4), with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol. IUPAC: N-(2-chloro-5-methylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB01307095-01
Property Insights of AB01307095-01
The XLogP value of 2.81614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01307095-01. With a topological polar surface area (TPSA) of 59.81 Ų, AB01307095-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01307095-01 has 1 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 AB01307095-01?
The CAS number of AB01307095-01 is 588712-39-4.
What is the molecular formula of AB01307095-01?
The molecular formula of AB01307095-01 is C13H15ClN4OS.
What is the molecular weight of AB01307095-01?
The molecular weight of AB01307095-01 is 310.07 g/mol.
Where can I buy AB01307095-01?
You can request a quote for AB01307095-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01307095-01?
Yes, KEHONG BIO provides custom synthesis services for AB01307095-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.