Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate
TL;DR: Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate (CAS 85156-98-5) is a chemical compound with molecular formula C21H22O4 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexane-1-carboxylate
Also Known As: ChemDiv2_001167, Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate, BAS 00552881, ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexane-1-carboxylate, J1.878.595A
| Molecular Formula | C21H22O4 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1518 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 85156-98-5 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(CC1=O)(C2=CC=CC=C2)O)C3=CC=CC=C3 |
| InChIKey | HNXOOFNMQBRBRM-UHFFFAOYSA-N |
Product Overview
Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate (CAS 85156-98-5), with molecular formula C21H22O4 and molecular weight 338.15 g/mol. IUPAC: ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate
Property Insights of Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate 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 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate?
The CAS number of Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate is 85156-98-5.
What is the molecular formula of Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate?
The molecular formula of Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate is C21H22O4.
What is the molecular weight of Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate?
The molecular weight of Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate is 338.15 g/mol.
Where can I buy Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate?
You can request a quote for Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.