(2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid (CAS 115433-20-0) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
Also Known As: 4-hydroxy-1-phenylthiocarbamoyl-proline, BAS 02561832, (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
Technical Specifications
| Molecular Formula | C12H14N2O3S |
| Molecular Weight | 266.0725 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.0725 Da |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
| SMILES | C1[C@H](CN([C@@H]1C(=O)O)C(=S)NC2=CC=CC=C2)O |
| InChIKey | SXSUDRGUXPALIB-ZJUUUORDSA-N |
Chemical Property Profile of (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid has 3 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 (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid is 115433-20-0.
What is the molecular formula of (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid is C12H14N2O3S.
What is the molecular weight of (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid is 266.0725 g/mol.
Where can I buy (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.