![ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate structure](/static/products/603/603946-92-5.png)
ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
TL;DR: ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate (CAS 603946-92-5) is a chemical compound with molecular formula C14H13BrN4O2S and molecular weight 379.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
Also Known As: Propanoicacid,2-[ thio]-,ethylester, ASN 06016313, 2-(6-Bromo-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-propionic acid ethyl ester, ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate, Propanoic acid, 2-[(8-bromo-2H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-, ethyl ester (9CI)
| Molecular Formula | C14H13BrN4O2S |
|---|---|
| Molecular Weight | 379.99 g/mol |
| LogP | 3.3123 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.99426 |
| Heavy Atoms | 22 |
| Complexity | 851.3417 |
Chemical Identifiers
| CAS Number | 603946-92-5 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(C3=C(N2)C=CC(=C3)Br)N=N1 |
Product Overview
ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate (CAS 603946-92-5), with molecular formula C14H13BrN4O2S and molecular weight 379.99 g/mol. IUPAC: ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate.
Chemical Property Profile of ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
Property Insights of ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
The XLogP value of 3.3123 indicates that ethyl 2-[(8-bromo-5H-[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 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate 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-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
The CAS number of ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is 603946-92-5.
What is the molecular formula of ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
The molecular formula of ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is C14H13BrN4O2S.
What is the molecular weight of ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
The molecular weight of ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is 379.99 g/mol.
Where can I buy ethyl 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
You can request a quote for ethyl 2-[(8-bromo-5H-[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-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(8-bromo-5H-[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.