1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)-
TL;DR: 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- (CAS 28746-58-9) is a chemical compound with molecular formula C15H16O2 and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidene-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-benzylidene-5,5-dimethylcyclohexane-1,3-dione, 2-benzylidene-5,5-dimethyl-1,3-cyclohexanedione, J1.019.639F, 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)-, 2-benzylidene-5,5-dimethyl-cyclohexane-1,3-dione
| Molecular Formula | C15H16O2 |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 3.0282 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.11504 |
| Heavy Atoms | 17 |
| Complexity | 458.9031 |
Chemical Identifiers
| CAS Number | 28746-58-9 |
|---|---|
| SMILES | CC1(CC(=O)C(=CC2=CC=CC=C2)C(=O)C1)C |
Product Overview
1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- (CAS 28746-58-9), with molecular formula C15H16O2 and molecular weight 228.12 g/mol. IUPAC: 2-benzylidene-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)-
Property Insights of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)-
The XLogP value of 3.0282 indicates that 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- has 0 hydrogen bond donor(s) and 2 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 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)-?
The CAS number of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- is 28746-58-9.
What is the molecular formula of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)-?
The molecular formula of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- is C15H16O2.
What is the molecular weight of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)-?
The molecular weight of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- is 228.12 g/mol.
Where can I buy 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)-?
You can request a quote for 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 5,5-dimethyl-2-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.