![ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate structure](/static/products/1693/169304-24-9.webp)
ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 169304-24-9) is a chemical compound with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, 10G-400S, ethyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetate, (4-Amino-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester
| Molecular Formula | C12H14N4O2S |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.08374 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 169304-24-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2 |
| InChIKey | CKWVHOSZLVUOMH-UHFFFAOYSA-N |
Product Overview
ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 169304-24-9), with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol. IUPAC: ethyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 6 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 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 169304-24-9.
What is the molecular formula of ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is C12H14N4O2S.
What is the molecular weight of ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 278.08 g/mol.
Where can I buy ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.