![{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid structure](/static/products/4256/425653-38-9.webp)
{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid
TL;DR: {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid (CAS 425653-38-9) is a chemical compound with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetic acid
Also Known As: {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid, 2-((5-Phenethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid, 2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid, {[5-(2-PHENYLETHYL)-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL]SULFANYL}ACETIC ACID, 2-{[5-(2-PHENYLETHYL)-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL]SULFANYL}ACETIC ACID
| Molecular Formula | C19H16N4O2S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 3.3989 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.0994 |
| Heavy Atoms | 26 |
| Complexity | 1078.9923 |
Chemical Identifiers
| CAS Number | 425653-38-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)O |
Product Overview
{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid (CAS 425653-38-9), with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol. IUPAC: 2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid
Property Insights of {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid
The XLogP value of 3.3989 indicates that {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}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 {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[5-(2-phenylethyl)-5H-[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 {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid?
The CAS number of {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid is 425653-38-9.
What is the molecular formula of {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid?
The molecular formula of {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid is C19H16N4O2S.
What is the molecular weight of {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid?
The molecular weight of {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid is 364.10 g/mol.
Where can I buy {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid?
You can request a quote for {[5-(2-phenylethyl)-5H-[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 {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[5-(2-phenylethyl)-5H-[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.