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Bicyclo[1.1.1]pent-2-ylphenylmethanone
TL;DR: Bicyclo[1.1.1]pent-2-ylphenylmethanone (CAS 148749-94-4) is a chemical compound with molecular formula C12H12O and molecular weight 172.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bicyclo[1.1.1]pentanyl(phenyl)methanone
Also Known As: Bicyclo[1.1.1]pentan-2-ylphenyl ketone, Bicyclo[1.1.1]pent-2-ylphenylmethanone, 5-bicyclo[1.1.1]pentyl-phenyl-methanone, (Bicyclo[1.1.1]pentan-2-yl)(phenyl)methanone, {bicyclo[1.1.1]pentan-2-yl}(phenyl)methanone
Technical Specifications
| Molecular Formula | C12H12O |
| Molecular Weight | 172.08882 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.08882 Da |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
| SMILES | C1C2CC1C2C(=O)C3=CC=CC=C3 |
| InChIKey | OHDWQDXWIBNVEZ-UHFFFAOYSA-N |
Chemical Property Profile of Bicyclo[1.1.1]pent-2-ylphenylmethanone
Property Insights of Bicyclo[1.1.1]pent-2-ylphenylmethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[1.1.1]pent-2-ylphenylmethanone. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo[1.1.1]pent-2-ylphenylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[1.1.1]pent-2-ylphenylmethanone 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 Bicyclo[1.1.1]pent-2-ylphenylmethanone?
The CAS number of Bicyclo[1.1.1]pent-2-ylphenylmethanone is 148749-94-4.
What is the molecular formula of Bicyclo[1.1.1]pent-2-ylphenylmethanone?
The molecular formula of Bicyclo[1.1.1]pent-2-ylphenylmethanone is C12H12O.
What is the molecular weight of Bicyclo[1.1.1]pent-2-ylphenylmethanone?
The molecular weight of Bicyclo[1.1.1]pent-2-ylphenylmethanone is 172.08882 g/mol.
Where can I buy Bicyclo[1.1.1]pent-2-ylphenylmethanone?
You can request a quote for Bicyclo[1.1.1]pent-2-ylphenylmethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bicyclo[1.1.1]pent-2-ylphenylmethanone?
Yes, CoreyChem provides custom synthesis services for Bicyclo[1.1.1]pent-2-ylphenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.