4-Phenylbutyrophenone
TL;DR: 4-Phenylbutyrophenone (CAS 5407-91-0) is a chemical compound with molecular formula C16H16O and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diphenylbutan-1-one
Also Known As: 1,4-Diphenyl-1-butanone, 1,4-diphenylbutan-1-one, 4-Phenylbutyrophenone, 4-Butyrylbiphenyl, 4-Phenylbutyrophenon
| Molecular Formula | C16H16O |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.12012 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 5407-91-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(=O)C2=CC=CC=C2 |
| InChIKey | GBUMEGLMTNAXOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenylbutyrophenone (CAS 5407-91-0), with molecular formula C16H16O and molecular weight 224.12 g/mol. IUPAC: 1,4-diphenylbutan-1-one.
Chemical Property Profile of 4-Phenylbutyrophenone
Property Insights of 4-Phenylbutyrophenone
The XLogP value of 4.1 indicates that 4-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, 4-Phenylbutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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
Frequently Asked Questions
What is the CAS number of 4-Phenylbutyrophenone?
The CAS number of 4-Phenylbutyrophenone is 5407-91-0.
What is the molecular formula of 4-Phenylbutyrophenone?
The molecular formula of 4-Phenylbutyrophenone is C16H16O.
What is the molecular weight of 4-Phenylbutyrophenone?
The molecular weight of 4-Phenylbutyrophenone is 224.12 g/mol.
Where can I buy 4-Phenylbutyrophenone?
You can request a quote for 4-Phenylbutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylbutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylbutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.