2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one
TL;DR: 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one (CAS 923717-75-3) 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.
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-hydroxyphenyl)ethanone
Also Known As: 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 1.80412 |
| 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 | 563.20154 |
Chemical Identifiers
| CAS Number | 923717-75-3 |
|---|---|
| SMILES | CC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)O |
Product Overview
2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one (CAS 923717-75-3), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-hydroxyphenyl)ethanone.
Chemical Property Profile of 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one
Property Insights of 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one
The XLogP value of 1.80412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one. Following Lipinski's Rule of Five, 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)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 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one?
The CAS number of 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one is 923717-75-3.
What is the molecular formula of 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one?
The molecular formula of 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one is C12H13N3O2S.
What is the molecular weight of 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one?
The molecular weight of 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one is 263.07 g/mol.
Where can I buy 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one?
You can request a quote for 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)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 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,5-Dimethyl-4h-1,2,4-triazol-3-yl)thio)-1-(4-hydroxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.