![2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide structure](/static/products/905/905780-67-8.png)
2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
TL;DR: 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide (CAS 905780-67-8) is a chemical compound with molecular formula C17H16ClN5OS and molecular weight 373.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzylacetamide
Also Known As: F2715-0443, 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide, 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzylacetamide, N-benzyl[4-amino-5-(p-chlorophenyl)-4H-1,2,4-triazol-3-ylthio]acetamide, 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide
| Molecular Formula | C17H16ClN5OS |
|---|---|
| Molecular Weight | 373.08 g/mol |
| LogP | 2.7208 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.07642 |
| Heavy Atoms | 25 |
| Complexity | 851.23456 |
Chemical Identifiers
| CAS Number | 905780-67-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl |
Product Overview
2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide (CAS 905780-67-8), with molecular formula C17H16ClN5OS and molecular weight 373.08 g/mol. IUPAC: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzylacetamide.
Chemical Property Profile of 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Property Insights of 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
The XLogP value of 2.7208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide has 2 hydrogen bond donor(s) and 5 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-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide?
The CAS number of 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide is 905780-67-8.
What is the molecular formula of 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide?
The molecular formula of 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide is C17H16ClN5OS.
What is the molecular weight of 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide?
The molecular weight of 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide is 373.08 g/mol.
Where can I buy 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide?
You can request a quote for 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.