2-Phenylcycloheptan-1-one
TL;DR: 2-Phenylcycloheptan-1-one (CAS 14996-78-2) is a chemical compound with molecular formula C13H16O and molecular weight 188.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylcycloheptan-1-one
Also Known As: 2-Phenylcycloheptanone, 2-Phenylcycloheptan-1-one, Cycloheptanone, 2-phenyl-, 2-Phenyl-cycloheptanon, rac-2-phenylcycloheptanone
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O |
| Molecular Weight | 188.12012 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.12012 Da |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
| SMILES | C1CCC(C(=O)CC1)C2=CC=CC=C2 |
| InChIKey | PVHNKILPLXXDDZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenylcycloheptan-1-one
Property Insights of 2-Phenylcycloheptan-1-one
The XLogP value of 3.2 indicates that 2-Phenylcycloheptan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Phenylcycloheptan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylcycloheptan-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
What is the CAS number of 2-Phenylcycloheptan-1-one?
The CAS number of 2-Phenylcycloheptan-1-one is 14996-78-2.
What is the molecular formula of 2-Phenylcycloheptan-1-one?
The molecular formula of 2-Phenylcycloheptan-1-one is C13H16O.
What is the molecular weight of 2-Phenylcycloheptan-1-one?
The molecular weight of 2-Phenylcycloheptan-1-one is 188.12012 g/mol.
Where can I buy 2-Phenylcycloheptan-1-one?
You can request a quote for 2-Phenylcycloheptan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylcycloheptan-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Phenylcycloheptan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.