![2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid structure](/static/products/4607/460713-91-1.webp)
2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
TL;DR: 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid (CAS 460713-91-1) 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-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, 2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-((4-(Furan-2-ylmethyl)-5-(pyridin-3-yl)-4h-1,2,4-triazol-3-yl)thio)acetic acid, 2-[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-ylthio]acetic acid, (4-Furan-2-ylmethyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid
| Molecular Formula | C14H12N4O3S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.06302 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 460713-91-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)O |
| InChIKey | KZFKNVVXRBAQGL-UHFFFAOYSA-N |
Product Overview
2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid (CAS 460713-91-1), with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Property Insights of 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid has 1 hydrogen bond donor(s) and 7 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-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
The CAS number of 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is 460713-91-1.
What is the molecular formula of 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
The molecular formula of 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is C14H12N4O3S.
What is the molecular weight of 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
The molecular weight of 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is 316.06 g/mol.
Where can I buy 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
You can request a quote for 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-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 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-[(furan-2-yl)methyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.