![2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid structure](/static/products/603/603946-71-0.png)
2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
TL;DR: 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid (CAS 603946-71-0) is a chemical compound with molecular formula C14H14N4O2S and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
Also Known As: ASN 06015373, (6-Ethyl-9-methyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid, 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid, Acetic acid, [(8-ethyl-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]- (9CI)
| Molecular Formula | C14H14N4O2S |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 2.2556 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.08374 |
| Heavy Atoms | 21 |
| Complexity | 843.71796 |
Chemical Identifiers
| CAS Number | 603946-71-0 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC(=O)O)C |
Product Overview
2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid (CAS 603946-71-0), with molecular formula C14H14N4O2S and molecular weight 302.08 g/mol. IUPAC: 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
Property Insights of 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
The XLogP value of 2.2556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid has 1 hydrogen bond donor(s) and 5 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 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid?
The CAS number of 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid is 603946-71-0.
What is the molecular formula of 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid is C14H14N4O2S.
What is the molecular weight of 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid is 302.08 g/mol.
Where can I buy 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(8-Ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.