![2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid structure](/static/products/5870/587012-32-6.webp)
2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid
TL;DR: 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid (CAS 587012-32-6) is a chemical compound with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: AF-399/42679556, 2-[4-(2-furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid, {[4-(2-furylmethyl)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-((4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[4-(2-furylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid
| Molecular Formula | C14H12N4O3S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 2.1581 |
| Topological Polar Surface Area | 94.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.06302 |
| Heavy Atoms | 22 |
| Complexity | 755.7582 |
Chemical Identifiers
| CAS Number | 587012-32-6 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)O |
Product Overview
2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid (CAS 587012-32-6), with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid
Property Insights of 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid
The XLogP value of 2.1581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid. The TPSA of 94.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid. Following Lipinski's Rule of Five, 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]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-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid?
The CAS number of 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid is 587012-32-6.
What is the molecular formula of 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid?
The molecular formula of 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid is C14H12N4O3S.
What is the molecular weight of 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid?
The molecular weight of 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid is 316.06 g/mol.
Where can I buy 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid?
You can request a quote for 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]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-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-Furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.