4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid
TL;DR: 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid (CAS 7028-79-7) is a chemical compound with molecular formula C11H12O5S and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylsulfonylphenyl)-4-oxobutanoic acid
Also Known As: 3- propionicacid, 3-(4-METHYLSULFONYLBENZOYL)PROPIONIC ACID, 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid, 4-(4-methylsulfonylphenyl)-4-oxobutanoic acid, 3-(4-METHANESULFONYLBENZOYL)PROPIONIC ACID
| Molecular Formula | C11H12O5S |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.04056 |
| Heavy Atoms | 17 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 7028-79-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCC(=O)O |
| InChIKey | LOIRMIGGBFNYOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid (CAS 7028-79-7), with molecular formula C11H12O5S and molecular weight 256.04 g/mol. IUPAC: 4-(4-methylsulfonylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid
Property Insights of 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 5 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 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid?
The CAS number of 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid is 7028-79-7.
What is the molecular formula of 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid?
The molecular formula of 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid is C11H12O5S.
What is the molecular weight of 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid?
The molecular weight of 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid is 256.04 g/mol.
Where can I buy 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid?
You can request a quote for 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Methylsulfonyl)phenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.