5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione
TL;DR: 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione (CAS 37456-51-2) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-phenacylcyclohexane-1,3-dione
Also Known As: 2-phenacyldimedone, 5,5-dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione, 5,5-dimethyl-2-phenacylcyclohexane-1,3-dione, 5,5-DIMETHYL-2-PHENACYL-1,3-CYCLOHEXANEDIONE), 5,5-dimethyl-2-phenacyl-cyclohexane-1,3-dione
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 2.8338 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 494.0554 |
Chemical Identifiers
| CAS Number | 37456-51-2 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)CC(=O)C2=CC=CC=C2)C |
Product Overview
5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione (CAS 37456-51-2), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: 5,5-dimethyl-2-phenacylcyclohexane-1,3-dione.
Chemical Property Profile of 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione
Property Insights of 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione
The XLogP value of 2.8338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 51.21 Ų, 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione has 0 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 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione?
The CAS number of 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione is 37456-51-2.
What is the molecular formula of 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione?
The molecular formula of 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione is C16H18O3.
What is the molecular weight of 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione?
The molecular weight of 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione is 258.13 g/mol.
Where can I buy 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione?
You can request a quote for 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.