Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate
TL;DR: Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate (CAS 23115-91-5) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethoxy-2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
Also Known As: ETHYL 2,3-DIHYDRO-4-ETHOXY-2,2,6-TRIMETHYLBENZOATE, ethyl 4-ethoxy-2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate, Ethyl 4-ethoxy-2,6,6-trimethylcyclohexa-1,3-dienecarboxylate, Ethyl 4-ethoxy-2,6,6-trimethyl-cyclohexa-1,3-diene-1-carboxylate, 4-Ethoxy-2,6,6-trimethyl-cyclohexa-1,3-dienecarboxylic acid ethyl ester
| Molecular Formula | C14H22O3 |
|---|---|
| Molecular Weight | 238.16 g/mol |
| LogP | 3.2163 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.15689 |
| Heavy Atoms | 17 |
| Complexity | 361.6636 |
Chemical Identifiers
| CAS Number | 23115-91-5 |
|---|---|
| SMILES | CCOC1=CC(=C(C(C1)(C)C)C(=O)OCC)C |
Product Overview
Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate (CAS 23115-91-5), with molecular formula C14H22O3 and molecular weight 238.16 g/mol. IUPAC: ethyl 4-ethoxy-2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate.
Chemical Property Profile of Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate
Property Insights of Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate
The XLogP value of 3.2163 indicates that Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate has 0 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 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate?
The CAS number of Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate is 23115-91-5.
What is the molecular formula of Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate?
The molecular formula of Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate is C14H22O3.
What is the molecular weight of Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate?
The molecular weight of Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate is 238.16 g/mol.
Where can I buy Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate?
You can request a quote for Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.