Quinaprilat
TL;DR: Quinaprilat (CAS 82768-85-2) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: Quinaprilat, quinaprilate, quinaprilatum, Quinapril diacid, Accuprin
| Molecular Formula | C23H26N2O5 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.18417 |
| Heavy Atoms | 30 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 82768-85-2 |
|---|---|
| SMILES | C[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O |
| InChIKey | FLSLEGPOVLMJMN-YSSFQJQWSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinaprilat (CAS 82768-85-2), with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol. IUPAC: (3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of Quinaprilat
Property Insights of Quinaprilat
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinaprilat. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinaprilat. Following Lipinski's Rule of Five, Quinaprilat has 3 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 Quinaprilat?
The CAS number of Quinaprilat is 82768-85-2.
What is the molecular formula of Quinaprilat?
The molecular formula of Quinaprilat is C23H26N2O5.
What is the molecular weight of Quinaprilat?
The molecular weight of Quinaprilat is 410.18 g/mol.
Where can I buy Quinaprilat?
You can request a quote for Quinaprilat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinaprilat?
Yes, KEHONG BIO provides custom synthesis services for Quinaprilat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.