3-(4-Methylthiobenzoyl)propionic acid
TL;DR: 3-(4-Methylthiobenzoyl)propionic acid (CAS 7028-67-3) is a chemical compound with molecular formula C11H12O3S and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylsulfanylphenyl)-4-oxobutanoic acid
Also Known As: 3-(4-Methylthiobenzoyl)propionic acid, 3- propionicacid, 4-[4-(methylthio)phenyl]-4-oxobutanoic acid, 4-(4-(Methylthio)phenyl)-4-oxobutanoic acid, Benzenebutanoic acid,4-(methylthio)-g-oxo-
| Molecular Formula | C11H12O3S |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 2.456 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.05072 |
| Heavy Atoms | 15 |
| Complexity | 356.6007 |
Chemical Identifiers
| CAS Number | 7028-67-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)CCC(=O)O |
Product Overview
3-(4-Methylthiobenzoyl)propionic acid (CAS 7028-67-3), with molecular formula C11H12O3S and molecular weight 224.05 g/mol. IUPAC: 4-(4-methylsulfanylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 3-(4-Methylthiobenzoyl)propionic acid
Property Insights of 3-(4-Methylthiobenzoyl)propionic acid
The XLogP value of 2.456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylthiobenzoyl)propionic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-(4-Methylthiobenzoyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylthiobenzoyl)propionic 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 3-(4-Methylthiobenzoyl)propionic acid?
The CAS number of 3-(4-Methylthiobenzoyl)propionic acid is 7028-67-3.
What is the molecular formula of 3-(4-Methylthiobenzoyl)propionic acid?
The molecular formula of 3-(4-Methylthiobenzoyl)propionic acid is C11H12O3S.
What is the molecular weight of 3-(4-Methylthiobenzoyl)propionic acid?
The molecular weight of 3-(4-Methylthiobenzoyl)propionic acid is 224.05 g/mol.
Where can I buy 3-(4-Methylthiobenzoyl)propionic acid?
You can request a quote for 3-(4-Methylthiobenzoyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylthiobenzoyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylthiobenzoyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.