1,2,4-Butanetrione, 1,4-diphenyl-
TL;DR: 1,2,4-Butanetrione, 1,4-diphenyl- (CAS 33251-20-6) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diphenylbutane-1,2,4-trione
Also Known As: Oxalacetophenon, 1,4-diphenylbutane-1,2,4-trione, 1,4-Diphenyl-1,2,4-butanetrione, 1,4-diphenyl-butane-1,2,4-trione, 1,2,4-Butanetrione, 1,4-diphenyl-
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 33251-20-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C(=O)C2=CC=CC=C2 |
| InChIKey | IGHNCOCVHRDKQI-UHFFFAOYSA-N |
Product Overview
1,2,4-Butanetrione, 1,4-diphenyl- (CAS 33251-20-6), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 1,4-diphenylbutane-1,2,4-trione.
Chemical Property Profile of 1,2,4-Butanetrione, 1,4-diphenyl-
Property Insights of 1,2,4-Butanetrione, 1,4-diphenyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Butanetrione, 1,4-diphenyl-. With a topological polar surface area (TPSA) of 51.2 Ų, 1,2,4-Butanetrione, 1,4-diphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Butanetrione, 1,4-diphenyl- has 0 hydrogen bond donor(s) and 3 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 1,2,4-Butanetrione, 1,4-diphenyl-?
The CAS number of 1,2,4-Butanetrione, 1,4-diphenyl- is 33251-20-6.
What is the molecular formula of 1,2,4-Butanetrione, 1,4-diphenyl-?
The molecular formula of 1,2,4-Butanetrione, 1,4-diphenyl- is C16H12O3.
What is the molecular weight of 1,2,4-Butanetrione, 1,4-diphenyl-?
The molecular weight of 1,2,4-Butanetrione, 1,4-diphenyl- is 252.08 g/mol.
Where can I buy 1,2,4-Butanetrione, 1,4-diphenyl-?
You can request a quote for 1,2,4-Butanetrione, 1,4-diphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Butanetrione, 1,4-diphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Butanetrione, 1,4-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.