1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid
TL;DR: 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid (CAS 40117-92-8) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid
Also Known As: 1-benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid, 5335AB, 1-Benzyl-4-carboxypiperidine-4-acetic acid, 1-BENZYL-4-CARBOXYMETHYL-PIPERIDINE-4-CARBOXYLIC ACID, J1.687.717D
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 40117-92-8 |
|---|---|
| SMILES | C1CN(CCC1(CC(=O)O)C(=O)O)CC2=CC=CC=C2 |
| InChIKey | CANDQQKRBANRQJ-UHFFFAOYSA-N |
Product Overview
1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid (CAS 40117-92-8), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: 1-benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid.
Chemical Property Profile of 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid
Property Insights of 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid
The XLogP value of -1.2 indicates that 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid has 2 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-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid?
The CAS number of 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid is 40117-92-8.
What is the molecular formula of 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid?
The molecular formula of 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid is C15H19NO4.
What is the molecular weight of 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid?
The molecular weight of 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid is 277.13 g/mol.
Where can I buy 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid?
You can request a quote for 1-Benzyl-4-(carboxymethyl)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-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.