1-(1,1'-Biphenyl)-4-yl-1-butanone
TL;DR: 1-(1,1'-Biphenyl)-4-yl-1-butanone (CAS 13211-01-3) 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-(4-phenylphenyl)butan-1-one
Also Known As: 4-Butyrylbiphenyl, 4'-Phenylbutyrophenone, 4-Phenylbutyrophenone, 1-(4-phenylphenyl)butan-1-one, p-Phenylbutyrophenone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H16O |
| Molecular Weight | 224.12012 g/mol |
| XLogP | 4.4 |
| 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 | 232.0 |
| SMILES | CCCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | WOFNMZNJGZJHJO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,1'-Biphenyl)-4-yl-1-butanone
Property Insights of 1-(1,1'-Biphenyl)-4-yl-1-butanone
The XLogP value of 4.4 indicates that 1-(1,1'-Biphenyl)-4-yl-1-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(1,1'-Biphenyl)-4-yl-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,1'-Biphenyl)-4-yl-1-butanone 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 1-(1,1'-Biphenyl)-4-yl-1-butanone?
The CAS number of 1-(1,1'-Biphenyl)-4-yl-1-butanone is 13211-01-3.
What is the molecular formula of 1-(1,1'-Biphenyl)-4-yl-1-butanone?
The molecular formula of 1-(1,1'-Biphenyl)-4-yl-1-butanone is C16H16O.
What is the molecular weight of 1-(1,1'-Biphenyl)-4-yl-1-butanone?
The molecular weight of 1-(1,1'-Biphenyl)-4-yl-1-butanone is 224.12012 g/mol.
Where can I buy 1-(1,1'-Biphenyl)-4-yl-1-butanone?
You can request a quote for 1-(1,1'-Biphenyl)-4-yl-1-butanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,1'-Biphenyl)-4-yl-1-butanone?
Yes, CoreyChem provides custom synthesis services for 1-(1,1'-Biphenyl)-4-yl-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.