Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate
TL;DR: Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate (CAS 85157-08-0) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexane-1-carboxylate
Also Known As: ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate, ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexane-1-carboxylate, I14-21389, A3741/0158537, ETHYL 4-HYDROXY-4-METHYL-2-OXO-6-PHENYL-1-CYCLOHEXANECARBOXYLATE
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 2.0634 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 492.45816 |
Chemical Identifiers
| CAS Number | 85157-08-0 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(CC1=O)(C)O)C2=CC=CC=C2 |
Product Overview
Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate (CAS 85157-08-0), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate
Property Insights of Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate
The XLogP value of 2.0634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-4-methyl-2-oxo-6-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 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate?
The CAS number of Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate is 85157-08-0.
What is the molecular formula of Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate?
The molecular formula of Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate is C16H20O4.
What is the molecular weight of Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate?
The molecular weight of Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate is 276.14 g/mol.
Where can I buy Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate?
You can request a quote for Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate 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-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.