Zofenopril(1-)
TL;DR: Zofenopril(1-) (CAS 81938-43-4) is a chemical compound with molecular formula C22H22NO4S2- and molecular weight 428.09903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylate
Also Known As: zofenopril(1-), zofenopril anion, ZOFENOPRIL CALCIUM, (2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylate, (2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylate
Technical Specifications
| Molecular Formula | C22H22NO4S2- |
| Molecular Weight | 428.09903 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.09903 Da |
| Heavy Atoms | 29 |
| Complexity | 582.0 |
| SMILES | C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@H](C[C@H]2C(=O)[O-])SC3=CC=CC=C3 |
| InChIKey | IAIDUHCBNLFXEF-MNEFBYGVSA-M |
Chemical Property Profile of Zofenopril(1-)
Property Insights of Zofenopril(1-)
The XLogP value of 5.0 indicates that Zofenopril(1-) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Zofenopril(1-). Following Lipinski's Rule of Five, Zofenopril(1-) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Zofenopril(1-)?
The CAS number of Zofenopril(1-) is 81938-43-4.
What is the molecular formula of Zofenopril(1-)?
The molecular formula of Zofenopril(1-) is C22H22NO4S2-.
What is the molecular weight of Zofenopril(1-)?
The molecular weight of Zofenopril(1-) is 428.09903 g/mol.
Where can I buy Zofenopril(1-)?
You can request a quote for Zofenopril(1-) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Zofenopril(1-)?
Yes, CoreyChem provides custom synthesis services for Zofenopril(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.