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Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
TL;DR: Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate (CAS 710982-58-4) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 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]acetate
Also Known As: CBKinase1_008432, CBKinase1_020832, ethyl [(6-phenyl-1,2,4-triazin-3-yl)thio]acetate, ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate, ethyl 2-(6-phenyl-1,2,4-triazin-3-ylthio)acetate
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 2.1938 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 531.3444 |
Chemical Identifiers
| CAS Number | 710982-58-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=C(N=N1)C2=CC=CC=C2 |
Product Overview
Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate (CAS 710982-58-4), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
Property Insights of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
The XLogP value of 2.1938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate. 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]acetate. Following Lipinski's Rule of Five, Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate 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]acetate?
The CAS number of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate is 710982-58-4.
What is the molecular formula of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate?
The molecular formula of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate is C13H13N3O2S.
What is the molecular weight of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate?
The molecular weight of Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate is 275.07 g/mol.
Where can I buy Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate?
You can request a quote for Ethyl 2-[(6-phenyl-1,2,4-triazin-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-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.