Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate
TL;DR: Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate (CAS 1166836-52-7) is a chemical compound with molecular formula C19H22O6 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
Also Known As: dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate, dimethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate, (E)-dimethyl 4-hydroxy-4-methyl-6-oxo-2-styrylcyclohexane-1,3-dicarboxylate
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 1.6182 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 676.41455 |
Chemical Identifiers
| CAS Number | 1166836-52-7 |
|---|---|
| SMILES | CC1(CC(=O)C(C(C1C(=O)OC)/C=C/C2=CC=CC=C2)C(=O)OC)O |
Product Overview
Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate (CAS 1166836-52-7), with molecular formula C19H22O6 and molecular weight 346.14 g/mol. IUPAC: dimethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate
Property Insights of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate
The XLogP value of 1.6182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate. Following Lipinski's Rule of Five, Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate has 1 hydrogen bond donor(s) and 6 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 Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate?
The CAS number of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate is 1166836-52-7.
What is the molecular formula of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate?
The molecular formula of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate is C19H22O6.
What is the molecular weight of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate?
The molecular weight of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate is 346.14 g/mol.
Where can I buy Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate?
You can request a quote for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.