Captopril disulphide
TL;DR: Captopril disulphide (CAS 64806-05-9) is a chemical compound with molecular formula C18H28N2O6S2 and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Also Known As: Captopril disulfide, captopril disulphide, CPS-SCP, CAPTOPRILDISULFIDE, CP-S-S-CP
| Molecular Formula | C18H28N2O6S2 |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.1389 |
| Heavy Atoms | 28 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 64806-05-9 |
|---|---|
| SMILES | C[C@H](CSSCC(C)C(=O)N1CCC[C@H]1C(=O)O)C(=O)N2CCC[C@H]2C(=O)O |
| InChIKey | ZWKRXBCJAUKDCI-KRCVMZOZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Captopril disulphide (CAS 64806-05-9), with molecular formula C18H28N2O6S2 and molecular weight 432.14 g/mol. IUPAC: (2S)-1-[3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Captopril disulphide
Property Insights of Captopril disulphide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Captopril disulphide. The TPSA of 166.0 Ų indicates high polarity, suggesting Captopril disulphide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Captopril disulphide has 2 hydrogen bond donor(s) and 8 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 Captopril disulphide?
The CAS number of Captopril disulphide is 64806-05-9.
What is the molecular formula of Captopril disulphide?
The molecular formula of Captopril disulphide is C18H28N2O6S2.
What is the molecular weight of Captopril disulphide?
The molecular weight of Captopril disulphide is 432.14 g/mol.
Where can I buy Captopril disulphide?
You can request a quote for Captopril disulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Captopril disulphide?
Yes, KEHONG BIO provides custom synthesis services for Captopril disulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.