(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63674-52-2) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid, 1-[3-(METHYLTHIO)PHENYL]-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 1.846 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 460.81888 |
Chemical Identifiers
| CAS Number | 63674-52-2 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)O |
Product Overview
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63674-52-2), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 1.846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 63674-52-2.
What is the molecular formula of (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid is C12H13NO3S.
What is the molecular weight of (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 251.06 g/mol.
Where can I buy (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.