Ethyl 3-methoxy-4-methylsulfonyloxybenzoate
TL;DR: Ethyl 3-methoxy-4-methylsulfonyloxybenzoate (CAS 791802-84-1) is a chemical compound with molecular formula C11H14O6S and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methoxy-4-methylsulfonyloxybenzoate
Also Known As: ethyl 3-methoxy-4-methylsulfonyloxybenzoate, ethyl 3-methoxy-4-[(methylsulfonyl)oxy]benzoate, AN-652/43163306
| Molecular Formula | C11H14O6S |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 1.2103 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.05112 |
| Heavy Atoms | 18 |
| Complexity | 534.4645 |
Chemical Identifiers
| CAS Number | 791802-84-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C)OC |
Product Overview
Ethyl 3-methoxy-4-methylsulfonyloxybenzoate (CAS 791802-84-1), with molecular formula C11H14O6S and molecular weight 274.05 g/mol. IUPAC: ethyl 3-methoxy-4-methylsulfonyloxybenzoate.
Chemical Property Profile of Ethyl 3-methoxy-4-methylsulfonyloxybenzoate
Property Insights of Ethyl 3-methoxy-4-methylsulfonyloxybenzoate
The XLogP value of 1.2103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methoxy-4-methylsulfonyloxybenzoate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-methoxy-4-methylsulfonyloxybenzoate. Following Lipinski's Rule of Five, Ethyl 3-methoxy-4-methylsulfonyloxybenzoate has 0 hydrogen bond donor(s) and 6 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 3-methoxy-4-methylsulfonyloxybenzoate?
The CAS number of Ethyl 3-methoxy-4-methylsulfonyloxybenzoate is 791802-84-1.
What is the molecular formula of Ethyl 3-methoxy-4-methylsulfonyloxybenzoate?
The molecular formula of Ethyl 3-methoxy-4-methylsulfonyloxybenzoate is C11H14O6S.
What is the molecular weight of Ethyl 3-methoxy-4-methylsulfonyloxybenzoate?
The molecular weight of Ethyl 3-methoxy-4-methylsulfonyloxybenzoate is 274.05 g/mol.
Where can I buy Ethyl 3-methoxy-4-methylsulfonyloxybenzoate?
You can request a quote for Ethyl 3-methoxy-4-methylsulfonyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methoxy-4-methylsulfonyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methoxy-4-methylsulfonyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.