3-(Methylsulfonyl)propanoic acid
TL;DR: 3-(Methylsulfonyl)propanoic acid (CAS 645-83-0) is a chemical compound with molecular formula C4H8O4S and molecular weight 152.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfonylpropanoic acid
Also Known As: 3-(methylsulfonyl)propanoic acid, 3-methylsulfonylpropanoic acid, MSPA, 3-methanesulfonylpropanoic acid, Propanoic acid, 3-(methylsulfonyl)-
| Molecular Formula | C4H8O4S |
|---|---|
| Molecular Weight | 152.01 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.01433 |
| Heavy Atoms | 9 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 645-83-0 |
|---|---|
| SMILES | CS(=O)(=O)CCC(=O)O |
| InChIKey | ODUCCTTZGHSNKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylsulfonyl)propanoic acid (CAS 645-83-0), with molecular formula C4H8O4S and molecular weight 152.01 g/mol. IUPAC: 3-methylsulfonylpropanoic acid.
Chemical Property Profile of 3-(Methylsulfonyl)propanoic acid
Property Insights of 3-(Methylsulfonyl)propanoic acid
The XLogP value of -0.9 indicates that 3-(Methylsulfonyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylsulfonyl)propanoic acid. Following Lipinski's Rule of Five, 3-(Methylsulfonyl)propanoic 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-(Methylsulfonyl)propanoic acid?
The CAS number of 3-(Methylsulfonyl)propanoic acid is 645-83-0.
What is the molecular formula of 3-(Methylsulfonyl)propanoic acid?
The molecular formula of 3-(Methylsulfonyl)propanoic acid is C4H8O4S.
What is the molecular weight of 3-(Methylsulfonyl)propanoic acid?
The molecular weight of 3-(Methylsulfonyl)propanoic acid is 152.01 g/mol.
Where can I buy 3-(Methylsulfonyl)propanoic acid?
You can request a quote for 3-(Methylsulfonyl)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-(Methylsulfonyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfonyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.