2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 150536-03-1) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, (4-Ethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic Acid, 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)aceticacid, 2-(4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetic acid
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 1.5367 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 541.23114 |
Chemical Identifiers
| CAS Number | 150536-03-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)O)C2=CC=NC=C2 |
Product Overview
2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 150536-03-1), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 1.5367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-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-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 150536-03-1.
What is the molecular formula of 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is C11H12N4O2S.
What is the molecular weight of 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 264.07 g/mol.
Where can I buy 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-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-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.