![Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate structure](/static/products/603/603947-04-2.png)
Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
TL;DR: Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate (CAS 603947-04-2) is a chemical compound with molecular formula C15H15BrN4O2S and molecular weight 394.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
Also Known As: Propanoicacid,3-[ thio]-,ethylester, ASN 06016636, ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate, Propanoic acid, 3-[(8-bromo-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-, ethyl ester (9CI)
| Molecular Formula | C15H15BrN4O2S |
|---|---|
| Molecular Weight | 394.01 g/mol |
| LogP | 3.3243 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.00992 |
| Heavy Atoms | 23 |
| Complexity | 880.6611 |
Chemical Identifiers
| CAS Number | 603947-04-2 |
|---|---|
| SMILES | CCOC(=O)CCSC1=NC2=C(C3=C(N2C)C=CC(=C3)Br)N=N1 |
Product Overview
Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate (CAS 603947-04-2), with molecular formula C15H15BrN4O2S and molecular weight 394.01 g/mol. IUPAC: ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate.
Chemical Property Profile of Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
Property Insights of Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
The XLogP value of 3.3243 indicates that Ethyl 3-[(8-bromo-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 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(8-bromo-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 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
The CAS number of Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is 603947-04-2.
What is the molecular formula of Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
The molecular formula of Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is C15H15BrN4O2S.
What is the molecular weight of Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
The molecular weight of Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate is 394.01 g/mol.
Where can I buy Ethyl 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
You can request a quote for Ethyl 3-[(8-bromo-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 3-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(8-bromo-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.