![1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid structure](/static/products/7318/731801-12-0.webp)
1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid
TL;DR: 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid (CAS 731801-12-0) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid
Also Known As: 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid, 1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic Acid, 1-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}piperidine-4-carboxylic acid, 1-[2-[[5-Methyl-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-4-piperidinecarboxylic acid, 1-(2-((4-BENZYL-5-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETYL)PIPERIDINE-4-CARBOXYLIC ACID
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 2.05012 |
| Topological Polar Surface Area | 88.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 769.99835 |
Chemical Identifiers
| CAS Number | 731801-12-0 |
|---|---|
| SMILES | CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N3CCC(CC3)C(=O)O |
Product Overview
1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid (CAS 731801-12-0), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: 1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid.
Chemical Property Profile of 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid
Property Insights of 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid
The XLogP value of 2.05012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid. The TPSA of 88.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic 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 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid?
The CAS number of 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid is 731801-12-0.
What is the molecular formula of 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid?
The molecular formula of 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid is C18H22N4O3S.
What is the molecular weight of 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid?
The molecular weight of 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid is 374.14 g/mol.
Where can I buy 1-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid?
You can request a quote for 1-{2-[(4-benzyl-5-methyl-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-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-[(4-benzyl-5-methyl-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.