![[3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone structure](/static/products/6944/694468-23-0.webp)
[3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone
TL;DR: [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone (CAS 694468-23-0) is a chemical compound with molecular formula C16H12ClN3OS and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone
Also Known As: [3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone|AE-848/42278373|1-benzoyl-3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazole|[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenyl-methanone|[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenylmethanone|[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenyl-methanone|1-benzoyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole|SMR000199016|MLS000579578|cid_828532
| Molecular Formula | C16H12ClN3OS |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 4.0089 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.03897 |
| Heavy Atoms | 22 |
| Complexity | 800.01807 |
Chemical Identifiers
| CAS Number | 694468-23-0 |
|---|---|
| SMILES | CSC1=NC(=NN1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
Product Overview
[3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone (CAS 694468-23-0), with molecular formula C16H12ClN3OS and molecular weight 329.04 g/mol. IUPAC: [3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone.
Chemical Property Profile of [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone
Property Insights of [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone
The XLogP value of 4.0089 indicates that [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone has 0 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 [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone?
The CAS number of [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone is 694468-23-0.
What is the molecular formula of [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone?
The molecular formula of [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone is C16H12ClN3OS.
What is the molecular weight of [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone?
The molecular weight of [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone is 329.04 g/mol.
Where can I buy [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone?
You can request a quote for [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.