Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
TL;DR: Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate (CAS 151777-66-1) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
Also Known As: starbld0014819, methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate, methyl 2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate, methyl 2,4-dioxo-6-phenylcyclohexanecarboxylate, AE-018/31864064
Technical Specifications
| Molecular Formula | C14H14O4 |
| Molecular Weight | 246.0892 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0892 Da |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
| SMILES | COC(=O)C1C(CC(=O)C=C1O)C2=CC=CC=C2 |
| InChIKey | XVVYPBPJKJPYSY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
Property Insights of Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate 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
What is the CAS number of Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate?
The CAS number of Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate is 151777-66-1.
What is the molecular formula of Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate?
The molecular formula of Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate is C14H14O4.
What is the molecular weight of Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate?
The molecular weight of Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate is 246.0892 g/mol.
Where can I buy Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate?
You can request a quote for Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-hydroxy-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.