![2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid structure](/static/products/4431/443121-77-5.webp)
2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid
TL;DR: 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid (CAS 443121-77-5) is a chemical compound with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
Also Known As: BAS 02729611, 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid, (9-Benzyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetic acid, 2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid, ({5-BENZYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETIC ACID
| Molecular Formula | C18H14N4O2S |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 3.2045 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.08374 |
| Heavy Atoms | 25 |
| Complexity | 1062.7538 |
Chemical Identifiers
| CAS Number | 443121-77-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)O |
Product Overview
2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid (CAS 443121-77-5), with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol. IUPAC: 2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid
Property Insights of 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid
The XLogP value of 3.2045 indicates that 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)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-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid?
The CAS number of 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid is 443121-77-5.
What is the molecular formula of 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid?
The molecular formula of 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid is C18H14N4O2S.
What is the molecular weight of 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid?
The molecular weight of 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid is 350.08 g/mol.
Where can I buy 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid?
You can request a quote for 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)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-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.