Capobenic Acid
TL;DR: Capobenic Acid (CAS 21434-91-3) is a chemical compound with molecular formula C16H23NO6 and molecular weight 325.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
Also Known As: CAPOBENIC ACID, Trifartine, Acido capobenico, Pectoris, Acide capobenique
| Molecular Formula | C16H23NO6 |
|---|---|
| Molecular Weight | 325.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 325.15253 |
| Heavy Atoms | 23 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 21434-91-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NCCCCCC(=O)O |
| InChIKey | MPTXLVRHYGBOQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Capobenic Acid (CAS 21434-91-3), with molecular formula C16H23NO6 and molecular weight 325.15 g/mol. IUPAC: 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid.
Chemical Property Profile of Capobenic Acid
Property Insights of Capobenic Acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Capobenic Acid. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Capobenic Acid. Following Lipinski's Rule of Five, Capobenic Acid has 2 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 Capobenic Acid?
The CAS number of Capobenic Acid is 21434-91-3.
What is the molecular formula of Capobenic Acid?
The molecular formula of Capobenic Acid is C16H23NO6.
What is the molecular weight of Capobenic Acid?
The molecular weight of Capobenic Acid is 325.15 g/mol.
Where can I buy Capobenic Acid?
You can request a quote for Capobenic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Capobenic Acid?
Yes, KEHONG BIO provides custom synthesis services for Capobenic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.