Methyl 3-(methylsulfonyl)propanoate
TL;DR: Methyl 3-(methylsulfonyl)propanoate (CAS 89211-37-0) is a chemical compound with molecular formula C5H10O4S and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methylsulfonylpropanoate
Also Known As: Methyl 3-(methylsulfonyl)propanoate, methyl 3-methylsulfonylpropanoate, 3-(Methylsulfonyl)propionic acid methyl ester, methyl 3-methanesulphonylpropionate, Methyl3-(methylsulfonyl)propanoate
| Molecular Formula | C5H10O4S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | -0.4059 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.02998 |
| Heavy Atoms | 10 |
| Complexity | 203.68784 |
Chemical Identifiers
| CAS Number | 89211-37-0 |
|---|---|
| SMILES | COC(=O)CCS(=O)(=O)C |
Product Overview
Methyl 3-(methylsulfonyl)propanoate (CAS 89211-37-0), with molecular formula C5H10O4S and molecular weight 166.03 g/mol. IUPAC: methyl 3-methylsulfonylpropanoate.
Chemical Property Profile of Methyl 3-(methylsulfonyl)propanoate
Property Insights of Methyl 3-(methylsulfonyl)propanoate
The XLogP value of -0.4059 indicates that Methyl 3-(methylsulfonyl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(methylsulfonyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(methylsulfonyl)propanoate has 0 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 Methyl 3-(methylsulfonyl)propanoate?
The CAS number of Methyl 3-(methylsulfonyl)propanoate is 89211-37-0.
What is the molecular formula of Methyl 3-(methylsulfonyl)propanoate?
The molecular formula of Methyl 3-(methylsulfonyl)propanoate is C5H10O4S.
What is the molecular weight of Methyl 3-(methylsulfonyl)propanoate?
The molecular weight of Methyl 3-(methylsulfonyl)propanoate is 166.03 g/mol.
Where can I buy Methyl 3-(methylsulfonyl)propanoate?
You can request a quote for Methyl 3-(methylsulfonyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(methylsulfonyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(methylsulfonyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.