Barbituric acid, 5-butyl-5-phenyl-
TL;DR: Barbituric acid, 5-butyl-5-phenyl- (CAS 13554-11-5) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Butyl-5-phenylbarbituric acid, BARBITURIC ACID, 5-BUTYL-5-PHENYL-, 5-butyl(phenyl)barbituric, 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione, BARBITURIC ACID,5-BUTYL-5-PHENYL
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 13554-11-5 |
|---|---|
| SMILES | CCCCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 |
| InChIKey | IFHBURLPIXMUQI-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-butyl-5-phenyl- (CAS 13554-11-5), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-butyl-5-phenyl-
Property Insights of Barbituric acid, 5-butyl-5-phenyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-butyl-5-phenyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-butyl-5-phenyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-butyl-5-phenyl- 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 Barbituric acid, 5-butyl-5-phenyl-?
The CAS number of Barbituric acid, 5-butyl-5-phenyl- is 13554-11-5.
What is the molecular formula of Barbituric acid, 5-butyl-5-phenyl-?
The molecular formula of Barbituric acid, 5-butyl-5-phenyl- is C14H16N2O3.
What is the molecular weight of Barbituric acid, 5-butyl-5-phenyl-?
The molecular weight of Barbituric acid, 5-butyl-5-phenyl- is 260.12 g/mol.
Where can I buy Barbituric acid, 5-butyl-5-phenyl-?
You can request a quote for Barbituric acid, 5-butyl-5-phenyl- 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-butyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-butyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.