![N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide structure](/static/products/6966/696623-68-4.webp)
N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
TL;DR: N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CAS 696623-68-4) is a chemical compound with molecular formula C11H11ClN4OS and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Also Known As: N-(2-chlorobenzyl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide, N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide, A3391/0143863, N-(2-chlorobenzyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide, N-[(2-chlorophenyl)methyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
| Molecular Formula | C11H11ClN4OS |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 1.8666 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.0342 |
| Heavy Atoms | 18 |
| Complexity | 517.5216 |
Chemical Identifiers
| CAS Number | 696623-68-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)CSC2=NC=NN2)Cl |
Product Overview
N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CAS 696623-68-4), with molecular formula C11H11ClN4OS and molecular weight 282.03 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
Chemical Property Profile of N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Property Insights of N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
The XLogP value of 1.8666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)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 N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The CAS number of N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is 696623-68-4.
What is the molecular formula of N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The molecular formula of N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is C11H11ClN4OS.
What is the molecular weight of N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The molecular weight of N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is 282.03 g/mol.
Where can I buy N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
You can request a quote for N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-chlorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.