![1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone structure](/static/products/3803/380346-72-5.webp)
1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone
TL;DR: 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone (CAS 380346-72-5) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
Also Known As: 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone, 1-[4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone, A2560/0109041, 1,2,4-Triazol-5(1H)-thione, 4-(4-acetylphenyl)-3-(4-methoxyphenyl)-, 1-(4-(3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)phenyl)ethanone
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 380346-72-5 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)OC |
| InChIKey | BIKCDGXDJQHGRS-UHFFFAOYSA-N |
Product Overview
1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone (CAS 380346-72-5), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 1-[4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone.
Chemical Property Profile of 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone
Property Insights of 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone. Following Lipinski's Rule of Five, 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone has 1 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-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone?
The CAS number of 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone is 380346-72-5.
What is the molecular formula of 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone?
The molecular formula of 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone is C17H15N3O2S.
What is the molecular weight of 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone?
The molecular weight of 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone is 325.09 g/mol.
Where can I buy 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone?
You can request a quote for 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}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-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.