2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid
TL;DR: 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid (CAS 75616-92-1) is a chemical compound with molecular formula C17H11N3O2S and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylacetic acid
Also Known As: NCIStruc1_001721, NCIStruc2_001584, NCI60_002845, 2-(1,2,4-triazatriphenylen-3-ylsulfanyl)acetic acid, (phenanthro[9,10-e][1,2,4]triazin-3-ylthio)acetic acid
| Molecular Formula | C17H11N3O2S |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0572 |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 75616-92-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)O |
| InChIKey | XZGDBVGWDJBZRI-UHFFFAOYSA-N |
Product Overview
2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid (CAS 75616-92-1), with molecular formula C17H11N3O2S and molecular weight 321.06 g/mol. IUPAC: 2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylacetic acid.
Chemical Property Profile of 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid
Property Insights of 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid 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 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid?
The CAS number of 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid is 75616-92-1.
What is the molecular formula of 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid?
The molecular formula of 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid is C17H11N3O2S.
What is the molecular weight of 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid?
The molecular weight of 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid is 321.06 g/mol.
Where can I buy 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid?
You can request a quote for 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)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-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.