1,4-diphenylbut-3-en-2-one
TL;DR: 1,4-diphenylbut-3-en-2-one (CAS 5409-59-6) 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.
1,4-diphenylbut-3-en-2-one
Also Known As: 1,4-diphenylbut-3-en-2-one, (E)-1,4-diphenylbut-3-en-2-one, 3-Buten-2-one, 1,4-diphenyl-, (E)-
| Molecular Formula | C16H14O |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10446 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 5409-59-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C=CC2=CC=CC=C2 |
| InChIKey | QMDWBHJPUAOGHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-diphenylbut-3-en-2-one (CAS 5409-59-6), with molecular formula C16H14O and molecular weight 222.10 g/mol. IUPAC: 1,4-diphenylbut-3-en-2-one.
Chemical Property Profile of 1,4-diphenylbut-3-en-2-one
Property Insights of 1,4-diphenylbut-3-en-2-one
The XLogP value of 3.6 indicates that 1,4-diphenylbut-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4-diphenylbut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-diphenylbut-3-en-2-one 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 1,4-diphenylbut-3-en-2-one?
The CAS number of 1,4-diphenylbut-3-en-2-one is 5409-59-6.
What is the molecular formula of 1,4-diphenylbut-3-en-2-one?
The molecular formula of 1,4-diphenylbut-3-en-2-one is C16H14O.
What is the molecular weight of 1,4-diphenylbut-3-en-2-one?
The molecular weight of 1,4-diphenylbut-3-en-2-one is 222.10 g/mol.
Where can I buy 1,4-diphenylbut-3-en-2-one?
You can request a quote for 1,4-diphenylbut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-diphenylbut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-diphenylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.