2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-
TL;DR: 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl- (CAS 55847-93-3) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[hydroxy(phenyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-benzoyldimedone, 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-, 2-[hydroxy(phenyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione, 2-(hydroxy(phenyl)methylene)-5,5-dimethylcyclohexane-1,3-dione, RefChem:259770
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 2.9139 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 501.9295 |
Chemical Identifiers
| CAS Number | 55847-93-3 |
|---|---|
| SMILES | CC1(CC(=O)C(=C(C2=CC=CC=C2)O)C(=O)C1)C |
Product Overview
2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl- (CAS 55847-93-3), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: 2-[hydroxy(phenyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-
Property Insights of 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-
The XLogP value of 2.9139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-. With a topological polar surface area (TPSA) of 54.37 Ų, 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl- has 1 hydrogen bond donor(s) and 3 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 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-?
The CAS number of 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl- is 55847-93-3.
What is the molecular formula of 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl- is C15H16O3.
What is the molecular weight of 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl- is 244.11 g/mol.
Where can I buy 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 2-benzoyl-3-hydroxy-5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.