Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate
TL;DR: Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate (CAS 135969-88-9) is a chemical compound with molecular formula C35H31NO4 and molecular weight 529.2253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexane-1-carboxylate
Also Known As: ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate, J2.538.671J, AI-211/09901001, ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexane-1-carboxylate, 1-Cyano-2,4,6-triphenyl-4-hydroxy-3-benzoylcyclohexane-1-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C35H31NO4 |
| Molecular Weight | 529.2253 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.2253 Da |
| Heavy Atoms | 40 |
| Complexity | 915.0 |
| SMILES | CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC=CC=C5)C#N |
| InChIKey | XNUIOMJMFRIAHR-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate
Property Insights of Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate
The XLogP value of 6.4 indicates that Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate. Following Lipinski's Rule of Five, Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate?
The CAS number of Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate is 135969-88-9.
What is the molecular formula of Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate?
The molecular formula of Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate is C35H31NO4.
What is the molecular weight of Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate?
The molecular weight of Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate is 529.2253 g/mol.
Where can I buy Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate?
You can request a quote for Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-benzoyl-1-cyano-4-hydroxy-2,4,6-triphenylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.