![3-[4-(Methylsulfonyl)phenyl]propanoic acid structure](/static/products/5907/590-76-1.webp)
3-[4-(Methylsulfonyl)phenyl]propanoic acid
TL;DR: 3-[4-(Methylsulfonyl)phenyl]propanoic acid (CAS 590-76-1) is a chemical compound with molecular formula C10H12O4S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylsulfonylphenyl)propanoic acid
Also Known As: 3-(4-(Methylsulfonyl)phenyl)propanoic acid, 3-[4-(METHYLSULFONYL)PHENYL]PROPANOIC ACID, Peakdale1_000754, 3-(4-methylsulfonylphenyl)propanoic acid, 4-(methylsulfonyl)benzenepropanoic acid
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.1073 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 444.81567 |
Chemical Identifiers
| CAS Number | 590-76-1 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O |
Product Overview
3-[4-(Methylsulfonyl)phenyl]propanoic acid (CAS 590-76-1), with molecular formula C10H12O4S and molecular weight 228.05 g/mol. IUPAC: 3-(4-methylsulfonylphenyl)propanoic acid.
Chemical Property Profile of 3-[4-(Methylsulfonyl)phenyl]propanoic acid
Property Insights of 3-[4-(Methylsulfonyl)phenyl]propanoic acid
The XLogP value of 1.1073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Methylsulfonyl)phenyl]propanoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Methylsulfonyl)phenyl]propanoic acid. Following Lipinski's Rule of Five, 3-[4-(Methylsulfonyl)phenyl]propanoic 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-(Methylsulfonyl)phenyl]propanoic acid?
The CAS number of 3-[4-(Methylsulfonyl)phenyl]propanoic acid is 590-76-1.
What is the molecular formula of 3-[4-(Methylsulfonyl)phenyl]propanoic acid?
The molecular formula of 3-[4-(Methylsulfonyl)phenyl]propanoic acid is C10H12O4S.
What is the molecular weight of 3-[4-(Methylsulfonyl)phenyl]propanoic acid?
The molecular weight of 3-[4-(Methylsulfonyl)phenyl]propanoic acid is 228.05 g/mol.
Where can I buy 3-[4-(Methylsulfonyl)phenyl]propanoic acid?
You can request a quote for 3-[4-(Methylsulfonyl)phenyl]propanoic 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]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Methylsulfonyl)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.