N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide
TL;DR: N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 473587-10-9) is a chemical compound with molecular formula C12H13ClN4OS and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3-chloro-4-methylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3-chloro-4-methyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, 651-055-8
| Molecular Formula | C12H13ClN4OS |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 2.50772 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.04987 |
| Heavy Atoms | 19 |
| Complexity | 599.16534 |
Chemical Identifiers
| CAS Number | 473587-10-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C)Cl |
Product Overview
N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 473587-10-9), with molecular formula C12H13ClN4OS and molecular weight 296.05 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide
Property Insights of N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide
The XLogP value of 2.50772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide 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 N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
The CAS number of N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide is 473587-10-9.
What is the molecular formula of N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular formula of N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide is C12H13ClN4OS.
What is the molecular weight of N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular weight of N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide is 296.05 g/mol.
Where can I buy N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
You can request a quote for N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-4-methylphenyl)-2-((4-methyl-4H-1,2,4-triazol-3-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.