Ethyl 3,5-dimethyl-4-hydroxybenzoate
TL;DR: Ethyl 3,5-dimethyl-4-hydroxybenzoate (CAS 61660-77-3) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-3,5-dimethylbenzoate
Also Known As: ethyl 4-hydroxy-3,5-dimethylbenzoate, Ethyl 3,5-dimethyl-4-hydroxybenzoate, NIOSH/DG8998500, Benzoic acid, 4-hydroxy-3,5-dimethyl-, ethyl ester, 4-Hydroxy-3,5-dimethylbenzoic acid ethyl ester
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.18574 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 332.54544 |
Chemical Identifiers
| CAS Number | 61660-77-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)C)O)C |
Product Overview
Ethyl 3,5-dimethyl-4-hydroxybenzoate (CAS 61660-77-3), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: ethyl 4-hydroxy-3,5-dimethylbenzoate.
Chemical Property Profile of Ethyl 3,5-dimethyl-4-hydroxybenzoate
Property Insights of Ethyl 3,5-dimethyl-4-hydroxybenzoate
The XLogP value of 2.18574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-dimethyl-4-hydroxybenzoate. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl 3,5-dimethyl-4-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dimethyl-4-hydroxybenzoate has 1 hydrogen bond donor(s) and 3 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 3,5-dimethyl-4-hydroxybenzoate?
The CAS number of Ethyl 3,5-dimethyl-4-hydroxybenzoate is 61660-77-3.
What is the molecular formula of Ethyl 3,5-dimethyl-4-hydroxybenzoate?
The molecular formula of Ethyl 3,5-dimethyl-4-hydroxybenzoate is C11H14O3.
What is the molecular weight of Ethyl 3,5-dimethyl-4-hydroxybenzoate?
The molecular weight of Ethyl 3,5-dimethyl-4-hydroxybenzoate is 194.09 g/mol.
Where can I buy Ethyl 3,5-dimethyl-4-hydroxybenzoate?
You can request a quote for Ethyl 3,5-dimethyl-4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-dimethyl-4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-dimethyl-4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.