Methyl 4-(methylsulfonylmethyl)benzoate
TL;DR: Methyl 4-(methylsulfonylmethyl)benzoate (CAS 160446-22-0) 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.
methyl 4-(methylsulfonylmethyl)benzoate
Also Known As: methyl 4-(methanesulfonylmethyl)benzoate, methyl 4-(methylsulfonylmethyl)benzoate, Maybridge1_002811, Methyl 4-((methylsulfonyl)methyl)benzoate, DivK1c_001563
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.0178 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 444.81567 |
Chemical Identifiers
| CAS Number | 160446-22-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C |
Product Overview
Methyl 4-(methylsulfonylmethyl)benzoate (CAS 160446-22-0), with molecular formula C10H12O4S and molecular weight 228.05 g/mol. IUPAC: methyl 4-(methylsulfonylmethyl)benzoate.
Chemical Property Profile of Methyl 4-(methylsulfonylmethyl)benzoate
Property Insights of Methyl 4-(methylsulfonylmethyl)benzoate
The XLogP value of 1.0178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(methylsulfonylmethyl)benzoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(methylsulfonylmethyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(methylsulfonylmethyl)benzoate 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 4-(methylsulfonylmethyl)benzoate?
The CAS number of Methyl 4-(methylsulfonylmethyl)benzoate is 160446-22-0.
What is the molecular formula of Methyl 4-(methylsulfonylmethyl)benzoate?
The molecular formula of Methyl 4-(methylsulfonylmethyl)benzoate is C10H12O4S.
What is the molecular weight of Methyl 4-(methylsulfonylmethyl)benzoate?
The molecular weight of Methyl 4-(methylsulfonylmethyl)benzoate is 228.05 g/mol.
Where can I buy Methyl 4-(methylsulfonylmethyl)benzoate?
You can request a quote for Methyl 4-(methylsulfonylmethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(methylsulfonylmethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(methylsulfonylmethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.