Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-
TL;DR: Barbituric acid, 5-ethyl-5-(p-fluorophenyl)- (CAS 379-33-9) is a chemical compound with molecular formula C12H11FN2O3 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5-(p-fluorophenyl)barbituric acid, Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-, Acido 5-etil-5-(p-fluorofenil)barbiturico, 5-ethyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione, Acido 5-etil-5-(p-fluorofenil)barbiturico [Italian]
| Molecular Formula | C12H11FN2O3 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.07536 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 379-33-9 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)F |
| InChIKey | YLIOCISFAXOPFX-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-ethyl-5-(p-fluorophenyl)- (CAS 379-33-9), with molecular formula C12H11FN2O3 and molecular weight 250.08 g/mol. IUPAC: 5-ethyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-
Property Insights of Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(p-fluorophenyl)- has 2 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 Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-?
The CAS number of Barbituric acid, 5-ethyl-5-(p-fluorophenyl)- is 379-33-9.
What is the molecular formula of Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-?
The molecular formula of Barbituric acid, 5-ethyl-5-(p-fluorophenyl)- is C12H11FN2O3.
What is the molecular weight of Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-?
The molecular weight of Barbituric acid, 5-ethyl-5-(p-fluorophenyl)- is 250.08 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-?
You can request a quote for Barbituric acid, 5-ethyl-5-(p-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-(p-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.