1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline
TL;DR: 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline (CAS 119238-52-7) is a chemical compound with molecular formula C9H15NO3S and molecular weight 217.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Also Known As: D-CAPTOPRIL, captopril, R,S-Captopril, (+)-Captopril, Captopril (Capoten)
| Molecular Formula | C9H15NO3S |
|---|---|
| Molecular Weight | 217.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.07727 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 119238-52-7 |
|---|---|
| SMILES | C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O |
| InChIKey | FAKRSMQSSFJEIM-RNFRBKRXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline (CAS 119238-52-7), with molecular formula C9H15NO3S and molecular weight 217.08 g/mol. IUPAC: (2R)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline
Property Insights of 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline. With a topological polar surface area (TPSA) of 58.6 Ų, 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline has 2 hydrogen bond donor(s) and 4 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 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline?
The CAS number of 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline is 119238-52-7.
What is the molecular formula of 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline?
The molecular formula of 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline is C9H15NO3S.
What is the molecular weight of 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline?
The molecular weight of 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline is 217.08 g/mol.
Where can I buy 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline?
You can request a quote for 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline?
Yes, KEHONG BIO provides custom synthesis services for 1-((2S)-3-Mercapto-2-methyl-1-oxopropyl)-D-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.