![Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate structure](/static/products/878/878705-71-6.png)
Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate
TL;DR: Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate (CAS 878705-71-6) is a chemical compound with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate
Also Known As: ASN 12240135, ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate, ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)thio]propanoate, 2-(6-Phenyl-[1,2,4]triazin-3-ylsulfanyl)-propionic acid ethyl ester
| Molecular Formula | C14H15N3O2S |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 2.5823 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.0885 |
| Heavy Atoms | 20 |
| Complexity | 560.39154 |
Chemical Identifiers
| CAS Number | 878705-71-6 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC=C(N=N1)C2=CC=CC=C2 |
Product Overview
Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate (CAS 878705-71-6), with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol. IUPAC: ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate
Property Insights of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate
The XLogP value of 2.5823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate has 0 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-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate?
The CAS number of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate is 878705-71-6.
What is the molecular formula of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate is C14H15N3O2S.
What is the molecular weight of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate is 289.09 g/mol.
Where can I buy Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.