ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate
TL;DR: ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate (CAS 225225-34-3) 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.
ethyl 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
Also Known As: ChemDiv1_028530, BAS 03381008, ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate, AB00113898-01, ethyl 2-(1H-1,2,4-triazol-5-ylthio)-2-phenylacetate
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 2.2012 |
| 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 | 487.28833 |
Chemical Identifiers
| CAS Number | 225225-34-3 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)SC2=NC=NN2 |
Product Overview
ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate (CAS 225225-34-3), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: ethyl 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate.
Chemical Property Profile of ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate
Property Insights of ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate
The XLogP value of 2.2012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate. Following Lipinski's Rule of Five, ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate 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 ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate?
The CAS number of ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate is 225225-34-3.
What is the molecular formula of ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate?
The molecular formula of ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate is C12H13N3O2S.
What is the molecular weight of ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate?
The molecular weight of ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate is 263.07 g/mol.
Where can I buy ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate?
You can request a quote for ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.