Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate
TL;DR: Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate (CAS 851715-79-2) is a chemical compound with molecular formula C21H22O4S and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-ethoxyphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate
Also Known As: UPCMLD0ENAT5631766:001, F0619-0053, ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate, ethyl 4'-ethoxy-3-oxo-5-(thiophen-2-yl)-1,2,3,6-tetrahydro-[1,1'-biphenyl]-2-carboxylate, ethyl 6-(4-ethoxyphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate
| Molecular Formula | C21H22O4S |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 4.4661 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.12387 |
| Heavy Atoms | 26 |
| Complexity | 789.9284 |
Chemical Identifiers
| CAS Number | 851715-79-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=CC=CS3 |
Product Overview
Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate (CAS 851715-79-2), with molecular formula C21H22O4S and molecular weight 370.12 g/mol. IUPAC: ethyl 6-(4-ethoxyphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate
Property Insights of Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate
The XLogP value of 4.4661 indicates that Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-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 52.6 Ų, Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate has 0 hydrogen bond donor(s) and 5 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 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate?
The CAS number of Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate is 851715-79-2.
What is the molecular formula of Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate?
The molecular formula of Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate is C21H22O4S.
What is the molecular weight of Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate?
The molecular weight of Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate is 370.12 g/mol.
Where can I buy Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate?
You can request a quote for Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-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 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(4-ethoxyphenyl)-2-oxo-4-(thiophen-2-yl)cyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.