2-Benzylcyclooctanone
TL;DR: 2-Benzylcyclooctanone (CAS 22442-07-5) is a chemical compound with molecular formula C15H20O and molecular weight 216.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylcyclooctan-1-one
Also Known As: 2-Benzylcyclooctanone, 2-benzylcyclooctan-1-one, Cyclooctanone, 2-(phenylmethyl)-
| Molecular Formula | C15H20O |
|---|---|
| Molecular Weight | 216.15 g/mol |
| LogP | 3.7686 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.15141 |
| Heavy Atoms | 16 |
| Complexity | 328.548 |
Chemical Identifiers
| CAS Number | 22442-07-5 |
|---|---|
| SMILES | C1CCCC(=O)C(CC1)CC2=CC=CC=C2 |
Product Overview
2-Benzylcyclooctanone (CAS 22442-07-5), with molecular formula C15H20O and molecular weight 216.15 g/mol. IUPAC: 2-benzylcyclooctan-1-one.
Chemical Property Profile of 2-Benzylcyclooctanone
Property Insights of 2-Benzylcyclooctanone
The XLogP value of 3.7686 indicates that 2-Benzylcyclooctanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Benzylcyclooctanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylcyclooctanone 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 2-Benzylcyclooctanone?
The CAS number of 2-Benzylcyclooctanone is 22442-07-5.
What is the molecular formula of 2-Benzylcyclooctanone?
The molecular formula of 2-Benzylcyclooctanone is C15H20O.
What is the molecular weight of 2-Benzylcyclooctanone?
The molecular weight of 2-Benzylcyclooctanone is 216.15 g/mol.
Where can I buy 2-Benzylcyclooctanone?
You can request a quote for 2-Benzylcyclooctanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylcyclooctanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylcyclooctanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.