![1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid structure](/static/products/7353/735336-27-3.webp)
1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid
TL;DR: 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid (CAS 735336-27-3) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylic acid
Also Known As: 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid, 1-[2-(5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-piperidine-4-carboxylic acid, 1-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylic acid, 1-[2-(5-(2-furyl)-4-phenyl-1,2,4-triazol-3-ylthio)acetyl]piperidine-4-carboxyl ic acid, 1-(2-{[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 2.9426 |
| Topological Polar Surface Area | 101.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 979.34705 |
Chemical Identifiers
| CAS Number | 735336-27-3 |
|---|---|
| SMILES | C1CN(CCC1C(=O)O)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 |
Product Overview
1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid (CAS 735336-27-3), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: 1-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylic acid.
Chemical Property Profile of 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid
Property Insights of 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid
The XLogP value of 2.9426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid. The TPSA of 101.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic 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 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid?
The CAS number of 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid is 735336-27-3.
What is the molecular formula of 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid?
The molecular formula of 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid is C20H20N4O4S.
What is the molecular weight of 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid?
The molecular weight of 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid is 412.12 g/mol.
Where can I buy 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid?
You can request a quote for 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.