![Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate structure](/static/products/6039/603946-72-1.webp)
Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
TL;DR: Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate (CAS 603946-72-1) is a chemical compound with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
Also Known As: Propanoicacid,2-[ thio]-,ethylester, ASN 06015376, ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate, Propanoic acid, 2-[(8-ethyl-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-, ethyl ester (9CI)
| Molecular Formula | C17H20N4O2S |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 3.1226 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.1307 |
| Heavy Atoms | 24 |
| Complexity | 906.3734 |
Chemical Identifiers
| CAS Number | 603946-72-1 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SC(C)C(=O)OCC)C |
Product Overview
Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate (CAS 603946-72-1), with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol. IUPAC: ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
Property Insights of Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
The XLogP value of 3.1226 indicates that Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-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-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
The CAS number of Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is 603946-72-1.
What is the molecular formula of Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is C17H20N4O2S.
What is the molecular weight of Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is 344.13 g/mol.
Where can I buy Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-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-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.