5,5-Diphenylbarbituric acid
TL;DR: 5,5-Diphenylbarbituric acid (CAS 21914-07-8) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diphenyl-1,3-diazinane-2,4,6-trione
Also Known As: 5,5-Diphenylbarbituric acid, diphenylbarbituric acid, Barbituric acid, 5,5-diphenyl-, 5,5-diphenyl-1,3-diazinane-2,4,6-trione, Barbituric acid,5-diphenyl-
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 21914-07-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3 |
| InChIKey | IKVPZYAOGOJTLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Diphenylbarbituric acid (CAS 21914-07-8), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 5,5-diphenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5,5-Diphenylbarbituric acid
Property Insights of 5,5-Diphenylbarbituric acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Diphenylbarbituric acid. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Diphenylbarbituric acid. Following Lipinski's Rule of Five, 5,5-Diphenylbarbituric acid has 2 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 5,5-Diphenylbarbituric acid?
The CAS number of 5,5-Diphenylbarbituric acid is 21914-07-8.
What is the molecular formula of 5,5-Diphenylbarbituric acid?
The molecular formula of 5,5-Diphenylbarbituric acid is C16H12N2O3.
What is the molecular weight of 5,5-Diphenylbarbituric acid?
The molecular weight of 5,5-Diphenylbarbituric acid is 280.08 g/mol.
Where can I buy 5,5-Diphenylbarbituric acid?
You can request a quote for 5,5-Diphenylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Diphenylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Diphenylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.