ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate
TL;DR: ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate (CAS 6948-58-9) is a chemical compound with molecular formula C21H20O3 and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate
Also Known As: ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate, 3-cyclohexene-1-carboxylic acid, 2-oxo-4,6-diphenyl-, ethyl ester, ethyl 2-oxo-4,6-diphenylcyclohex-3-enecarboxylate, ethyl 2-oxo-4,6-diphenyl-3-cyclohexene-1-carboxylate, 6-ethoxycarbonyl-3,5-diphenylcyclohex-2-en-1-one
| Molecular Formula | C21H20O3 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.14124 |
| Heavy Atoms | 24 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 6948-58-9 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(=CC1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | AEQIPTUZFTVYQY-UHFFFAOYSA-N |
Product Overview
ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate (CAS 6948-58-9), with molecular formula C21H20O3 and molecular weight 320.14 g/mol. IUPAC: ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate
Property Insights of ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate
The XLogP value of 4.0 indicates that ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate 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-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
The CAS number of ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate is 6948-58-9.
What is the molecular formula of ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
The molecular formula of ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate is C21H20O3.
What is the molecular weight of ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
The molecular weight of ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate is 320.14 g/mol.
Where can I buy ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
You can request a quote for ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.