4,4-Diphenyl-2-butanone
TL;DR: 4,4-Diphenyl-2-butanone (CAS 5409-60-9) 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.
4,4-diphenylbutan-2-one
Also Known As: 4,4-Diphenylbutan-2-one, 4,4-diphenyl-2-butanone, Benzhydrylaceton, 4,4'-Diphenyl-2-butanone, 4,4-diphenyl-butan-2-one
| Molecular Formula | C16H16O |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.12012 |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5409-60-9 |
|---|---|
| SMILES | CC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | FPHXYKLKNOEKTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Diphenyl-2-butanone (CAS 5409-60-9), with molecular formula C16H16O and molecular weight 224.12 g/mol. IUPAC: 4,4-diphenylbutan-2-one.
Chemical Property Profile of 4,4-Diphenyl-2-butanone
Property Insights of 4,4-Diphenyl-2-butanone
The XLogP value of 3.3 indicates that 4,4-Diphenyl-2-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, 4,4-Diphenyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Diphenyl-2-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
Frequently Asked Questions
What is the CAS number of 4,4-Diphenyl-2-butanone?
The CAS number of 4,4-Diphenyl-2-butanone is 5409-60-9.
What is the molecular formula of 4,4-Diphenyl-2-butanone?
The molecular formula of 4,4-Diphenyl-2-butanone is C16H16O.
What is the molecular weight of 4,4-Diphenyl-2-butanone?
The molecular weight of 4,4-Diphenyl-2-butanone is 224.12 g/mol.
Where can I buy 4,4-Diphenyl-2-butanone?
You can request a quote for 4,4-Diphenyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Diphenyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Diphenyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.