S-Benzoylcaptopril
TL;DR: S-Benzoylcaptopril (CAS 75107-57-2) is a chemical compound with molecular formula C16H19NO4S and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Also Known As: S-Benzoylcaptopril, (S)-S-Benzoylcaptopril, (2S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid, L-Proline, 1-((2S)-3-(benzoylthio)-2-methyl-1-oxopropyl)-, (S)-1-((S)-3-(Benzoylthio)-2-methylpropanoyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C16H19NO4S |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.1035 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 75107-57-2 |
|---|---|
| SMILES | C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O |
| InChIKey | PZFBMHLQMFIRCU-YPMHNXCESA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Benzoylcaptopril (CAS 75107-57-2), with molecular formula C16H19NO4S and molecular weight 321.10 g/mol. IUPAC: (2S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of S-Benzoylcaptopril
Property Insights of S-Benzoylcaptopril
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Benzoylcaptopril. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Benzoylcaptopril. Following Lipinski's Rule of Five, S-Benzoylcaptopril has 1 hydrogen bond donor(s) and 5 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 S-Benzoylcaptopril?
The CAS number of S-Benzoylcaptopril is 75107-57-2.
What is the molecular formula of S-Benzoylcaptopril?
The molecular formula of S-Benzoylcaptopril is C16H19NO4S.
What is the molecular weight of S-Benzoylcaptopril?
The molecular weight of S-Benzoylcaptopril is 321.10 g/mol.
Where can I buy S-Benzoylcaptopril?
You can request a quote for S-Benzoylcaptopril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzoylcaptopril?
Yes, KEHONG BIO provides custom synthesis services for S-Benzoylcaptopril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.