1,1'-(1,3-Phenylene)bis(2-phenylethanedione)
TL;DR: 1,1'-(1,3-Phenylene)bis(2-phenylethanedione) (CAS 25424-26-4) is a chemical compound with molecular formula C22H14O4 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione
Also Known As: 1,1'-(1,3-Phenylene)bis(2-phenylethanedione), 1,3-Bis-phenylglyoxyloyl-benzol, 1,1'- bis[2-phenylethanedione], 1,1 -Isophthaloylbis(phenylmethanone), 1,1 -(1,3-Phenylene)bis[2-phenylethanedione]
| Molecular Formula | C22H14O4 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.0892 |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 25424-26-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)C2=CC(=CC=C2)C(=O)C(=O)C3=CC=CC=C3 |
| InChIKey | JXFFIJCCFUQFQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-(1,3-Phenylene)bis(2-phenylethanedione) (CAS 25424-26-4), with molecular formula C22H14O4 and molecular weight 342.09 g/mol. IUPAC: 1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione.
Chemical Property Profile of 1,1'-(1,3-Phenylene)bis(2-phenylethanedione)
Property Insights of 1,1'-(1,3-Phenylene)bis(2-phenylethanedione)
The XLogP value of 4.4 indicates that 1,1'-(1,3-Phenylene)bis(2-phenylethanedione) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(1,3-Phenylene)bis(2-phenylethanedione). Following Lipinski's Rule of Five, 1,1'-(1,3-Phenylene)bis(2-phenylethanedione) has 0 hydrogen bond donor(s) and 4 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 1,1'-(1,3-Phenylene)bis(2-phenylethanedione)?
The CAS number of 1,1'-(1,3-Phenylene)bis(2-phenylethanedione) is 25424-26-4.
What is the molecular formula of 1,1'-(1,3-Phenylene)bis(2-phenylethanedione)?
The molecular formula of 1,1'-(1,3-Phenylene)bis(2-phenylethanedione) is C22H14O4.
What is the molecular weight of 1,1'-(1,3-Phenylene)bis(2-phenylethanedione)?
The molecular weight of 1,1'-(1,3-Phenylene)bis(2-phenylethanedione) is 342.09 g/mol.
Where can I buy 1,1'-(1,3-Phenylene)bis(2-phenylethanedione)?
You can request a quote for 1,1'-(1,3-Phenylene)bis(2-phenylethanedione) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(1,3-Phenylene)bis(2-phenylethanedione)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(1,3-Phenylene)bis(2-phenylethanedione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.