![2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide structure](/static/products/5312/5312-12-9.webp)
2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
TL;DR: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide (CAS 5312-12-9) is a chemical compound with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Also Known As: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide, 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)acetamide
| Molecular Formula | C18H17ClN4OS |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 4.08812 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.08115 |
| Heavy Atoms | 25 |
| Complexity | 866.52246 |
Chemical Identifiers
| CAS Number | 5312-12-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3 |
Product Overview
2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide (CAS 5312-12-9), with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol. IUPAC: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Property Insights of 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
The XLogP value of 4.08812 indicates that 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide 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 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide?
The CAS number of 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide is 5312-12-9.
What is the molecular formula of 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide?
The molecular formula of 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide is C18H17ClN4OS.
What is the molecular weight of 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide?
The molecular weight of 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide is 372.08 g/mol.
Where can I buy 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide?
You can request a quote for 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.