Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate
TL;DR: Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate (CAS 462599-79-7) is a chemical compound with molecular formula C17H18Cl2O4 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,2-dichloroethenyl)-4-hydroxy-6-oxo-4-phenylcyclohexane-1-carboxylate
Also Known As: ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate, J1.056.216C, ethyl 2-(2,2-dichloroethenyl)-4-hydroxy-6-oxo-4-phenylcyclohexane-1-carboxylate, 4-Phenyl-2-oxo-4-hydroxy-6-(2,2-dichlorovinyl)cyclohexanecarboxylic acid ethyl ester, ethyl 2-(2,2-dichloroethenyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate
| Molecular Formula | C17H18Cl2O4 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 3.3516 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.05823 |
| Heavy Atoms | 23 |
| Complexity | 610.2792 |
Chemical Identifiers
| CAS Number | 462599-79-7 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(CC1=O)(C2=CC=CC=C2)O)C=C(Cl)Cl |
Product Overview
Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate (CAS 462599-79-7), with molecular formula C17H18Cl2O4 and molecular weight 356.06 g/mol. IUPAC: ethyl 2-(2,2-dichloroethenyl)-4-hydroxy-6-oxo-4-phenylcyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate
Property Insights of Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate
The XLogP value of 3.3516 indicates that Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate has 1 hydrogen bond donor(s) and 4 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-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate?
The CAS number of Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate is 462599-79-7.
What is the molecular formula of Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate?
The molecular formula of Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate is C17H18Cl2O4.
What is the molecular weight of Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate?
The molecular weight of Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate is 356.06 g/mol.
Where can I buy Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate?
You can request a quote for Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.