(1R,3S)-Benazepril Hydrochloride
TL;DR: (1R,3S)-Benazepril Hydrochloride (CAS 86541-77-7) is a chemical compound with molecular formula C24H29ClN2O5 and molecular weight 460.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-3-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochloride
Also Known As: (1R,3S)-Benazepril Hydrochloride, Benazepril Related Compound B, (1R,3S)-Benazepril Hcl, CGS14824A, Benazepril USP Related Compound B
| Molecular Formula | C24H29ClN2O5 |
|---|---|
| Molecular Weight | 460.18 g/mol |
| LogP | 2.99 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 460.1765 |
| Heavy Atoms | 32 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 86541-77-7 |
|---|---|
| SMILES | CCOC(=O)[C@@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl |
| InChIKey | VPSRQEHTHIMDQM-CMXBXVFLSA-N |
Product Overview
(1R,3S)-Benazepril Hydrochloride (CAS 86541-77-7), with molecular formula C24H29ClN2O5 and molecular weight 460.18 g/mol. IUPAC: 2-[(3S)-3-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochloride.
Chemical Property Profile of (1R,3S)-Benazepril Hydrochloride
Property Insights of (1R,3S)-Benazepril Hydrochloride
The XLogP value of 2.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,3S)-Benazepril Hydrochloride. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,3S)-Benazepril Hydrochloride. Following Lipinski's Rule of Five, (1R,3S)-Benazepril Hydrochloride 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 (1R,3S)-Benazepril Hydrochloride?
The CAS number of (1R,3S)-Benazepril Hydrochloride is 86541-77-7.
What is the molecular formula of (1R,3S)-Benazepril Hydrochloride?
The molecular formula of (1R,3S)-Benazepril Hydrochloride is C24H29ClN2O5.
What is the molecular weight of (1R,3S)-Benazepril Hydrochloride?
The molecular weight of (1R,3S)-Benazepril Hydrochloride is 460.18 g/mol.
Where can I buy (1R,3S)-Benazepril Hydrochloride?
You can request a quote for (1R,3S)-Benazepril Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,3S)-Benazepril Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (1R,3S)-Benazepril Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.