Cycloheptanone, 2-(2-oxo-2-phenylethyl)-
TL;DR: Cycloheptanone, 2-(2-oxo-2-phenylethyl)- (CAS 54669-79-3) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenacylcycloheptan-1-one
Also Known As: 2-phenacylcycloheptanone, 2-phenacylcycloheptan-1-one, Cycloheptanone, 2-(2-oxo-2-phenylethyl)-, 2-(2-Oxo-2-phenylethyl)cycloheptanone, 2-(2-Oxo-2-phenylethyl)cycloheptanone #
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.13068 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 54669-79-3 |
|---|---|
| SMILES | C1CCC(C(=O)CC1)CC(=O)C2=CC=CC=C2 |
| InChIKey | RYFPHAYLPBOGTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cycloheptanone, 2-(2-oxo-2-phenylethyl)- (CAS 54669-79-3), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: 2-phenacylcycloheptan-1-one.
Chemical Property Profile of Cycloheptanone, 2-(2-oxo-2-phenylethyl)-
Property Insights of Cycloheptanone, 2-(2-oxo-2-phenylethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloheptanone, 2-(2-oxo-2-phenylethyl)-. With a topological polar surface area (TPSA) of 34.1 Ų, Cycloheptanone, 2-(2-oxo-2-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptanone, 2-(2-oxo-2-phenylethyl)- 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 Cycloheptanone, 2-(2-oxo-2-phenylethyl)-?
The CAS number of Cycloheptanone, 2-(2-oxo-2-phenylethyl)- is 54669-79-3.
What is the molecular formula of Cycloheptanone, 2-(2-oxo-2-phenylethyl)-?
The molecular formula of Cycloheptanone, 2-(2-oxo-2-phenylethyl)- is C15H18O2.
What is the molecular weight of Cycloheptanone, 2-(2-oxo-2-phenylethyl)-?
The molecular weight of Cycloheptanone, 2-(2-oxo-2-phenylethyl)- is 230.13 g/mol.
Where can I buy Cycloheptanone, 2-(2-oxo-2-phenylethyl)-?
You can request a quote for Cycloheptanone, 2-(2-oxo-2-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptanone, 2-(2-oxo-2-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptanone, 2-(2-oxo-2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.