Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate
TL;DR: Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate (CAS 14164-75-1) is a chemical compound with molecular formula C22H22O3 and molecular weight 334.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate
Also Known As: ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate, ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylat, Ethyl 2~4~-methyl-2~5~-oxo-2~2~,2~3~,2~4~,2~5~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~4~-carboxylate
| Molecular Formula | C22H22O3 |
|---|---|
| Molecular Weight | 334.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.1569 |
| Heavy Atoms | 25 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 14164-75-1 |
|---|---|
| SMILES | CCOC(=O)C1(C(CC(=CC1=O)C2=CC=CC=C2)C3=CC=CC=C3)C |
| InChIKey | QHIWNMLQEQOLRI-UHFFFAOYSA-N |
Product Overview
Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate (CAS 14164-75-1), with molecular formula C22H22O3 and molecular weight 334.16 g/mol. IUPAC: ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate
Property Insights of Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate
The XLogP value of 4.3 indicates that Ethyl 1-methyl-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 1-methyl-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 1-methyl-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 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
The CAS number of Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate is 14164-75-1.
What is the molecular formula of Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
The molecular formula of Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate is C22H22O3.
What is the molecular weight of Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
The molecular weight of Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate is 334.16 g/mol.
Where can I buy Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
You can request a quote for Ethyl 1-methyl-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 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methyl-2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.