![1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone structure](/static/products/6922/692265-30-8.webp)
1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone
TL;DR: 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone (CAS 692265-30-8) is a chemical compound with molecular formula C17H13ClN4O3S and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone, AP-853/41543844, 1-(4-chlorophenyl)-2-{3-nitro-5-[(4-methylphenyl)sulfanyl]-1H-1,2,4-triazol-1-yl}ethanone, 1-(4-chlorophenyl)-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone, 1-(4-chlorophenyl)-2-{5-[(4-methylphenyl)sulfanyl]-3-nitro-1H-1,2,4-triazol-1-yl}ethanone
| Molecular Formula | C17H13ClN4O3S |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 4.18222 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0397 |
| Heavy Atoms | 26 |
| Complexity | 955.1443 |
Chemical Identifiers
| CAS Number | 692265-30-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone (CAS 692265-30-8), with molecular formula C17H13ClN4O3S and molecular weight 388.04 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone
Property Insights of 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone
The XLogP value of 4.18222 indicates that 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone has 0 hydrogen bond donor(s) and 6 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 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone?
The CAS number of 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone is 692265-30-8.
What is the molecular formula of 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone?
The molecular formula of 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone is C17H13ClN4O3S.
What is the molecular weight of 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone?
The molecular weight of 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone is 388.04 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone?
You can request a quote for 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.