p-Phenylbenzylideneacetone
TL;DR: p-Phenylbenzylideneacetone (CAS 5384-65-6) is a chemical compound with molecular formula C16H14O and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-phenylphenyl)but-3-en-2-one
Also Known As: p-phenylbenzylideneacetone, 4-(4-phenylphenyl)but-3-en-2-one, 4-(biphenyl-4-yl)but-3-en-2-one, (Z)-4-(4-phenylphenyl)but-3-en-2-one
| Molecular Formula | C16H14O |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10446 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 5384-65-6 |
|---|---|
| SMILES | CC(=O)C=CC1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | WOYQFGGEPKZWQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Phenylbenzylideneacetone (CAS 5384-65-6), with molecular formula C16H14O and molecular weight 222.10 g/mol. IUPAC: 4-(4-phenylphenyl)but-3-en-2-one.
Chemical Property Profile of p-Phenylbenzylideneacetone
Property Insights of p-Phenylbenzylideneacetone
The XLogP value of 3.7 indicates that p-Phenylbenzylideneacetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, p-Phenylbenzylideneacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Phenylbenzylideneacetone 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 p-Phenylbenzylideneacetone?
The CAS number of p-Phenylbenzylideneacetone is 5384-65-6.
What is the molecular formula of p-Phenylbenzylideneacetone?
The molecular formula of p-Phenylbenzylideneacetone is C16H14O.
What is the molecular weight of p-Phenylbenzylideneacetone?
The molecular weight of p-Phenylbenzylideneacetone is 222.10 g/mol.
Where can I buy p-Phenylbenzylideneacetone?
You can request a quote for p-Phenylbenzylideneacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Phenylbenzylideneacetone?
Yes, KEHONG BIO provides custom synthesis services for p-Phenylbenzylideneacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.