Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate
TL;DR: Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate (CAS 328288-87-5) is a chemical compound with molecular formula C11H13BrO3S and molecular weight 303.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-2-hydroxy-3-methyl-4-methylsulfanylbenzoate
Also Known As: ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate, ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzoate, ethyl 5-bromo-2-hydroxy-3-methyl-4-methylsulfanylbenzoate, Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylthio)benzoate, ethyl 5-bromo-2-hydroxy-3-methyl-4-methylsulfanyl-benzoate
| Molecular Formula | C11H13BrO3S |
|---|---|
| Molecular Weight | 303.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.97687 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 328288-87-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1O)C)SC)Br |
| InChIKey | XZZZHRRKMPIREY-UHFFFAOYSA-N |
Product Overview
Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate (CAS 328288-87-5), with molecular formula C11H13BrO3S and molecular weight 303.98 g/mol. IUPAC: ethyl 5-bromo-2-hydroxy-3-methyl-4-methylsulfanylbenzoate.
Chemical Property Profile of Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate
Property Insights of Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate
The XLogP value of 3.9 indicates that Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate has 1 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 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate?
The CAS number of Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate is 328288-87-5.
What is the molecular formula of Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate?
The molecular formula of Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate is C11H13BrO3S.
What is the molecular weight of Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate?
The molecular weight of Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate is 303.98 g/mol.
Where can I buy Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate?
You can request a quote for Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-bromo-2-hydroxy-3-methyl-4-(methylsulfanyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.