![1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone structure](/static/products/6944/694467-46-4.webp)
1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone
TL;DR: 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone (CAS 694467-46-4) is a chemical compound with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one
Also Known As: VU0048196-1, 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one, 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone, AE-848/42278370, 1-butyryl-3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazole
| Molecular Formula | C13H14ClN3OS |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 3.7607 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0546 |
| Heavy Atoms | 19 |
| Complexity | 580.0743 |
Chemical Identifiers
| CAS Number | 694467-46-4 |
|---|---|
| SMILES | CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC |
Product Overview
1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone (CAS 694467-46-4), with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol. IUPAC: 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one.
Chemical Property Profile of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone
Property Insights of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone
The XLogP value of 3.7607 indicates that 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone 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 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone?
The CAS number of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone is 694467-46-4.
What is the molecular formula of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone?
The molecular formula of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone is C13H14ClN3OS.
What is the molecular weight of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone?
The molecular weight of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone is 295.05 g/mol.
Where can I buy 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone?
You can request a quote for 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.