(S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid
TL;DR: (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid (CAS 1164523-75-4) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid
Also Known As: EiM17-04069, (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid, (2S)-4-(Methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid, (2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid, (2S)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 1.8487 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 475.05908 |
Chemical Identifiers
| CAS Number | 1164523-75-4 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O |
Product Overview
(S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid (CAS 1164523-75-4), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: (2S)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid.
Chemical Property Profile of (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid
Property Insights of (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid
The XLogP value of 1.8487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic 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 (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid?
The CAS number of (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid is 1164523-75-4.
What is the molecular formula of (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid?
The molecular formula of (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid is C13H15NO3S.
What is the molecular weight of (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid?
The molecular weight of (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid is 265.08 g/mol.
Where can I buy (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid?
You can request a quote for (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-(methylthio)-2-(1-oxoisoindolin-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.