![1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one structure](/static/products/7309/730997-84-9.webp)
1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one
TL;DR: 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one (CAS 730997-84-9) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone
Also Known As: 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one, 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylthio)methyl]phenyl}ethanone, 1-(3-(((4h-1,2,4-Triazol-3-yl)thio)methyl)-4-methoxyphenyl)ethan-1-one, 1-[4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone, 1-[4-Methoxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 2.3082 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 540.2605 |
Chemical Identifiers
| CAS Number | 730997-84-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=NN2 |
Product Overview
1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one (CAS 730997-84-9), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 1-[4-methoxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone.
Chemical Property Profile of 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one
Property Insights of 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one
The XLogP value of 2.3082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one. Following Lipinski's Rule of Five, 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one has 1 hydrogen bond donor(s) and 5 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-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one?
The CAS number of 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one is 730997-84-9.
What is the molecular formula of 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one?
The molecular formula of 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one is C12H13N3O2S.
What is the molecular weight of 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one?
The molecular weight of 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one is 263.07 g/mol.
Where can I buy 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one?
You can request a quote for 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-methoxy-3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.