1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione)
TL;DR: 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione) (CAS 104379-33-1) is a chemical compound with molecular formula C28H22O6 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3,5-dioxo-5-phenylpentanoyl)phenyl]-5-phenylpentane-1,3,5-trione
Also Known As: KST-1A9915, 1,1'-benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione), 1,4-Bis-(5-phenyl-1,3,5-triketopentyl)-benzol, 1,1'-(1,4-Phenylene)bis(5-phenylpentane-1,3,5-trione), 1,3,5-Pentanetrione,1,1'-p-phenylenebis[5-phenyl- (8CI)
| Molecular Formula | C28H22O6 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 454.14163 |
| Heavy Atoms | 34 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 104379-33-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)CC(=O)C2=CC=C(C=C2)C(=O)CC(=O)CC(=O)C3=CC=CC=C3 |
| InChIKey | NVISZNPRCZVECN-UHFFFAOYSA-N |
Product Overview
1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione) (CAS 104379-33-1), with molecular formula C28H22O6 and molecular weight 454.14 g/mol. IUPAC: 1-[4-(3,5-dioxo-5-phenylpentanoyl)phenyl]-5-phenylpentane-1,3,5-trione.
Chemical Property Profile of 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione)
Property Insights of 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione)
The XLogP value of 4.0 indicates that 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione). Following Lipinski's Rule of Five, 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione) has 0 hydrogen bond donor(s) and 6 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'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione)?
The CAS number of 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione) is 104379-33-1.
What is the molecular formula of 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione)?
The molecular formula of 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione) is C28H22O6.
What is the molecular weight of 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione)?
The molecular weight of 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione) is 454.14 g/mol.
Where can I buy 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione)?
You can request a quote for 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Benzene-1,4-diylbis(5-phenylpentane-1,3,5-trione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.