Benzylidene dibenzoylmethane
TL;DR: Benzylidene dibenzoylmethane (CAS 6120-13-4) is a chemical compound with molecular formula C22H16O2 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidene-1,3-diphenylpropane-1,3-dione
Also Known As: Dibenzoylstyrol, A-benzoylchalcone, Benzylidene dibenzoylmethane, alpha-Benzoylchalcone, .alpha.-Benzoylchalcone
| Molecular Formula | C22H16O2 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.11502 |
| Heavy Atoms | 24 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 6120-13-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | XWLSHEYUYYYBBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylidene dibenzoylmethane (CAS 6120-13-4), with molecular formula C22H16O2 and molecular weight 312.12 g/mol. IUPAC: 2-benzylidene-1,3-diphenylpropane-1,3-dione.
Chemical Property Profile of Benzylidene dibenzoylmethane
Property Insights of Benzylidene dibenzoylmethane
The XLogP value of 5.2 indicates that Benzylidene dibenzoylmethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Benzylidene dibenzoylmethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylidene dibenzoylmethane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzylidene dibenzoylmethane?
The CAS number of Benzylidene dibenzoylmethane is 6120-13-4.
What is the molecular formula of Benzylidene dibenzoylmethane?
The molecular formula of Benzylidene dibenzoylmethane is C22H16O2.
What is the molecular weight of Benzylidene dibenzoylmethane?
The molecular weight of Benzylidene dibenzoylmethane is 312.12 g/mol.
Where can I buy Benzylidene dibenzoylmethane?
You can request a quote for Benzylidene dibenzoylmethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylidene dibenzoylmethane?
Yes, KEHONG BIO provides custom synthesis services for Benzylidene dibenzoylmethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.