3-(4-(Methylsulfonyl)phenyl)acrylic acid
TL;DR: 3-(4-(Methylsulfonyl)phenyl)acrylic acid (CAS 88899-85-8) is a chemical compound with molecular formula C10H10O4S and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylsulfonylphenyl)prop-2-enoic acid
Also Known As: Peakdale1_000293, (2E)-3-[4-(Methylsulfonyl)phenyl]propenoic acid, 3-(4-(methylsulfonyl)phenyl)acrylic acid, 3-(4-methanesulfonylphenyl)acrylic acid, 3-(4-methanesulphonylphenyl)acrylic acid
| Molecular Formula | C10H10O4S |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.02998 |
| Heavy Atoms | 15 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 88899-85-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)O |
| InChIKey | UDUXYCSLRYYQNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-(Methylsulfonyl)phenyl)acrylic acid (CAS 88899-85-8), with molecular formula C10H10O4S and molecular weight 226.03 g/mol. IUPAC: 3-(4-methylsulfonylphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-(Methylsulfonyl)phenyl)acrylic acid
Property Insights of 3-(4-(Methylsulfonyl)phenyl)acrylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(Methylsulfonyl)phenyl)acrylic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(Methylsulfonyl)phenyl)acrylic acid. Following Lipinski's Rule of Five, 3-(4-(Methylsulfonyl)phenyl)acrylic 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 3-(4-(Methylsulfonyl)phenyl)acrylic acid?
The CAS number of 3-(4-(Methylsulfonyl)phenyl)acrylic acid is 88899-85-8.
What is the molecular formula of 3-(4-(Methylsulfonyl)phenyl)acrylic acid?
The molecular formula of 3-(4-(Methylsulfonyl)phenyl)acrylic acid is C10H10O4S.
What is the molecular weight of 3-(4-(Methylsulfonyl)phenyl)acrylic acid?
The molecular weight of 3-(4-(Methylsulfonyl)phenyl)acrylic acid is 226.03 g/mol.
Where can I buy 3-(4-(Methylsulfonyl)phenyl)acrylic acid?
You can request a quote for 3-(4-(Methylsulfonyl)phenyl)acrylic 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-(Methylsulfonyl)phenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(Methylsulfonyl)phenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.