![1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone structure](/static/products/7309/730997-82-7.webp)
1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone
TL;DR: 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone (CAS 730997-82-7) 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-hydroxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone
Also Known As: 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)ethan-1-one, 1-(4-Hydroxy-3-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)phenyl)ethan-1-one, 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone, 1-[4-hydroxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 2.0156 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 580.45154 |
Chemical Identifiers
| CAS Number | 730997-82-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)O)CSC2=NN=CN2C |
Product Overview
1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone (CAS 730997-82-7), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 1-[4-hydroxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone.
Chemical Property Profile of 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone
Property Insights of 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone
The XLogP value of 2.0156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone 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-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone?
The CAS number of 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone is 730997-82-7.
What is the molecular formula of 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone?
The molecular formula of 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone is C12H13N3O2S.
What is the molecular weight of 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone?
The molecular weight of 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone is 263.07 g/mol.
Where can I buy 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone?
You can request a quote for 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}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-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-hydroxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.