1-(2-Methyl-3-sulfanylpropanoyl)proline
TL;DR: 1-(2-Methyl-3-sulfanylpropanoyl)proline (CAS 62571-86-2) is a chemical compound with molecular formula C9H15NO3S and molecular weight 217.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid
Also Known As: captopril, Capoten, carbenicillin, Acepress, Alopresin
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H15NO3S |
| Molecular Weight | 217.07727 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.07727 Da |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
| SMILES | CC(CS)C(=O)N1CCCC1C(=O)O |
| InChIKey | FAKRSMQSSFJEIM-UHFFFAOYSA-N |
Product Description
Applications: 1-(2-Methyl-3-sulfanylpropanoyl)proline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-(2-Methyl-3-sulfanylpropanoyl)proline (CAS 62571-86-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-(2-Methyl-3-sulfanylpropanoyl)proline (CAS 62571-86-2) is a pharmaceutical intermediate with the molecular formula C9H15NO3S and a molecular weight of 217.08 g/mol. It is also known as captopril and Capoten.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-(2-Methyl-3-sulfanylpropanoyl)proline
Property Insights of 1-(2-Methyl-3-sulfanylpropanoyl)proline
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-3-sulfanylpropanoyl)proline. With a topological polar surface area (TPSA) of 58.6 Ų, 1-(2-Methyl-3-sulfanylpropanoyl)proline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methyl-3-sulfanylpropanoyl)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
What is the CAS number of 1-(2-Methyl-3-sulfanylpropanoyl)proline?
The CAS number of 1-(2-Methyl-3-sulfanylpropanoyl)proline is 62571-86-2.
What is the molecular formula of 1-(2-Methyl-3-sulfanylpropanoyl)proline?
The molecular formula of 1-(2-Methyl-3-sulfanylpropanoyl)proline is C9H15NO3S.
What is the molecular weight of 1-(2-Methyl-3-sulfanylpropanoyl)proline?
The molecular weight of 1-(2-Methyl-3-sulfanylpropanoyl)proline is 217.07727 g/mol.
What are the applications of 1-(2-Methyl-3-sulfanylpropanoyl)proline?
1-(2-Methyl-3-sulfanylpropanoyl)proline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1-(2-Methyl-3-sulfanylpropanoyl)proline?
You can request a quote for 1-(2-Methyl-3-sulfanylpropanoyl)proline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Methyl-3-sulfanylpropanoyl)proline?
Yes, CoreyChem provides custom synthesis services for 1-(2-Methyl-3-sulfanylpropanoyl)proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.