1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid
TL;DR: 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid (CAS 401581-35-9) is a chemical compound with molecular formula C16H21NO6 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
Also Known As: 1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid, BAS 05271117, 4-Piperidinecarboxylic acid, 1-(3,4,5-trimethoxybenzoyl)-, 1-(3,4,5-trimethoxybenzoyl)-4-piperidinecarboxylic acid, 1-(3,4,5-Trimethoxy-benzoyl)-piperidine-4-carboxylic acid
| Molecular Formula | C16H21NO6 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1369 |
| Heavy Atoms | 23 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 401581-35-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)C(=O)O |
| InChIKey | PDXJCZICGBWZOC-UHFFFAOYSA-N |
Product Overview
1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid (CAS 401581-35-9), with molecular formula C16H21NO6 and molecular weight 323.14 g/mol. IUPAC: 1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid.
Chemical Property Profile of 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid
Property Insights of 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(3,4,5-Trimethoxybenzoyl)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-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid?
The CAS number of 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid is 401581-35-9.
What is the molecular formula of 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid?
The molecular formula of 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid is C16H21NO6.
What is the molecular weight of 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid?
The molecular weight of 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid is 323.14 g/mol.
Where can I buy 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid?
You can request a quote for 1-(3,4,5-Trimethoxybenzoyl)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-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4,5-Trimethoxybenzoyl)piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.