Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate
TL;DR: Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate (CAS 329695-72-9) is a chemical compound with molecular formula C11H14O5S and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-3-methyl-4-methylsulfonylbenzoate
Also Known As: ethyl 2-hydroxy-4-methanesulfonyl-3-methylbenzoate, ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzenecarboxylate, ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate, ethyl 2-hydroxy-3-methyl-4-methylsulfonylbenzoate, ethyl2-hydroxy-4-methanesulfonyl-3-methylbenzoate
| Molecular Formula | C11H14O5S |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.05618 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 329695-72-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C)O |
| InChIKey | WDYHPVKGLKNXEX-UHFFFAOYSA-N |
Product Overview
Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate (CAS 329695-72-9), with molecular formula C11H14O5S and molecular weight 258.06 g/mol. IUPAC: ethyl 2-hydroxy-3-methyl-4-methylsulfonylbenzoate.
Chemical Property Profile of Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate
Property Insights of Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate. Following Lipinski's Rule of Five, Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate has 1 hydrogen bond donor(s) and 5 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 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate?
The CAS number of Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate is 329695-72-9.
What is the molecular formula of Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate?
The molecular formula of Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate is C11H14O5S.
What is the molecular weight of Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate?
The molecular weight of Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate is 258.06 g/mol.
Where can I buy Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate?
You can request a quote for Ethyl 2-hydroxy-3-methyl-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 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-hydroxy-3-methyl-4-(methylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.