Ethyl 4-(methylsulfonyl)benzoate
TL;DR: Ethyl 4-(methylsulfonyl)benzoate (CAS 67936-16-7) 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.
ethyl 4-methylsulfonylbenzoate
Also Known As: ethyl 4-(methylsulfonyl)benzoate, ethyl 4-methylsulfonylbenzoate, ethyl 4-methanesulfonylbenzoate, 4-METHANESULFONYL-BENZOIC ACID ETHYL ESTER, ethyl4-(methylsulfonyl)benzoate
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 67936-16-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C |
| InChIKey | ADTIKXSMRDSYSK-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(methylsulfonyl)benzoate (CAS 67936-16-7), with molecular formula C10H12O4S and molecular weight 228.05 g/mol. IUPAC: ethyl 4-methylsulfonylbenzoate.
Chemical Property Profile of Ethyl 4-(methylsulfonyl)benzoate
Property Insights of Ethyl 4-(methylsulfonyl)benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(methylsulfonyl)benzoate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(methylsulfonyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(methylsulfonyl)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 Ethyl 4-(methylsulfonyl)benzoate?
The CAS number of Ethyl 4-(methylsulfonyl)benzoate is 67936-16-7.
What is the molecular formula of Ethyl 4-(methylsulfonyl)benzoate?
The molecular formula of Ethyl 4-(methylsulfonyl)benzoate is C10H12O4S.
What is the molecular weight of Ethyl 4-(methylsulfonyl)benzoate?
The molecular weight of Ethyl 4-(methylsulfonyl)benzoate is 228.05 g/mol.
Where can I buy Ethyl 4-(methylsulfonyl)benzoate?
You can request a quote for Ethyl 4-(methylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(methylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(methylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.