3-Phenylbutyrophenone
TL;DR: 3-Phenylbutyrophenone (CAS 1533-20-6) is a chemical compound with molecular formula C16H16O and molecular weight 224.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diphenylbutan-1-one
Also Known As: 1,3-Diphenyl-1-butanone, 1,3-diphenylbutan-1-one, 3-Phenylbutyrophenone, b-Phenylbutyrophenone, beta-Phenylbutyrophenone
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H16O |
| Molecular Weight | 224.12012 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.12012 Da |
| Heavy Atoms | 17 |
| Complexity | 234.0 |
| SMILES | CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | GIVFXLVPKFXTCU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenylbutyrophenone
Property Insights of 3-Phenylbutyrophenone
The XLogP value of 3.8 indicates that 3-Phenylbutyrophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Phenylbutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylbutyrophenone 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 3-Phenylbutyrophenone?
The CAS number of 3-Phenylbutyrophenone is 1533-20-6.
What is the molecular formula of 3-Phenylbutyrophenone?
The molecular formula of 3-Phenylbutyrophenone is C16H16O.
What is the molecular weight of 3-Phenylbutyrophenone?
The molecular weight of 3-Phenylbutyrophenone is 224.12012 g/mol.
Where can I buy 3-Phenylbutyrophenone?
You can request a quote for 3-Phenylbutyrophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenylbutyrophenone?
Yes, CoreyChem provides custom synthesis services for 3-Phenylbutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.