LIBENZAPRIL
TL;DR: LIBENZAPRIL (CAS 109214-55-3) is a chemical compound with molecular formula C18H25N3O5 and molecular weight 363.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid
Also Known As: LIBENZAPRIL, Abutapril, Libenzapril [USAN:INN], Abutapril;CGS-16617, CGS 16617
| Molecular Formula | C18H25N3O5 |
|---|---|
| Molecular Weight | 363.18 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 363.1794 |
| Heavy Atoms | 26 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 109214-55-3 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C(=O)C1NC(CCCCN)C(=O)O)CC(=O)O |
| InChIKey | AXTCRUUITQKBAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
LIBENZAPRIL (CAS 109214-55-3), with molecular formula C18H25N3O5 and molecular weight 363.18 g/mol. IUPAC: 6-amino-2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid.
Chemical Property Profile of LIBENZAPRIL
Property Insights of LIBENZAPRIL
The XLogP value of -3.9 indicates that LIBENZAPRIL is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for LIBENZAPRIL. Following Lipinski's Rule of Five, LIBENZAPRIL has 4 hydrogen bond donor(s) and 7 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 LIBENZAPRIL?
The CAS number of LIBENZAPRIL is 109214-55-3.
What is the molecular formula of LIBENZAPRIL?
The molecular formula of LIBENZAPRIL is C18H25N3O5.
What is the molecular weight of LIBENZAPRIL?
The molecular weight of LIBENZAPRIL is 363.18 g/mol.
Where can I buy LIBENZAPRIL?
You can request a quote for LIBENZAPRIL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LIBENZAPRIL?
Yes, KEHONG BIO provides custom synthesis services for LIBENZAPRIL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.