(S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid (CAS 52881-96-6) is a chemical compound with molecular formula C13H13NO4S and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoic acid
Also Known As: Pht-Met-OH, (s)-N-phthaloylmethionine, N-Phthaloyl-DL-methionine, N-PHTHALOYL-L-METHIONINE, N,N-Phthaloyl-L-methionine
| Molecular Formula | C13H13NO4S |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 1.4889 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.05652 |
| Heavy Atoms | 19 |
| Complexity | 508.19968 |
Chemical Identifiers
| CAS Number | 52881-96-6 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O |
Product Overview
(S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid (CAS 52881-96-6), with molecular formula C13H13NO4S and molecular weight 279.06 g/mol. IUPAC: (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid
The XLogP value of 1.4889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid has 1 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 (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid is 52881-96-6.
What is the molecular formula of (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid is C13H13NO4S.
What is the molecular weight of (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid is 279.06 g/mol.
Where can I buy (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)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)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.