![1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](/static/products/6932/693238-78-7.webp)
1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
TL;DR: 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 693238-78-7) 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-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C17H13ClN4O3S |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 4.0187 |
| 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 | 693238-78-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CAS 693238-78-7), with molecular formula C17H13ClN4O3S and molecular weight 388.04 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Property Insights of 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
The XLogP value of 4.0187 indicates that 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]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-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]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-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The CAS number of 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 693238-78-7.
What is the molecular formula of 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular formula of 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is C17H13ClN4O3S.
What is the molecular weight of 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The molecular weight of 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is 388.04 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
You can request a quote for 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]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-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.