5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one
TL;DR: 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one (CAS 36047-17-3) is a chemical compound with molecular formula C14H16O and molecular weight 200.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-phenylcyclohex-2-en-1-one
Also Known As: 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one, 5,5-dimethyl-3-phenylcyclohex-2-en-1-one, 5,5-Dimethyl-3-phenylcyclohex-2-enone, 3-Phenyl-5,5-dimethyl-2-cyclohexene-1-one, J1.650.642G
| Molecular Formula | C14H16O |
|---|---|
| Molecular Weight | 200.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.12012 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 36047-17-3 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)C2=CC=CC=C2)C |
| InChIKey | GYKMJRAFILCDKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one (CAS 36047-17-3), with molecular formula C14H16O and molecular weight 200.12 g/mol. IUPAC: 5,5-dimethyl-3-phenylcyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one
Property Insights of 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one has 0 hydrogen bond donor(s) and 1 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-3-phenyl-2-cyclohexen-1-one?
The CAS number of 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one is 36047-17-3.
What is the molecular formula of 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one?
The molecular formula of 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one is C14H16O.
What is the molecular weight of 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one?
The molecular weight of 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one is 200.12 g/mol.
Where can I buy 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one?
You can request a quote for 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one 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-3-phenyl-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-phenyl-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.