Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl-
TL;DR: Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl- (CAS 69766-29-6) is a chemical compound with molecular formula C15H24N2O4 and molecular weight 296.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,3-dimethyl-2-oxobutyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Also Known As: Barbituric acid, 5-isopentyl-5-pinacolonyl-, 4-24-00-02170 (Beilstein Handbook Reference), BARBITURIC ACID, 5-((2,2-DIMETHYLPROPIONYL)METHYL)-5-ISOPENTYL-, 5-((2,2-Dimethylpropionyl)methyl)-5-isopentylbarbituric acid, 5-(3,3-dimethyl-2-oxobutyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C15H24N2O4 |
|---|---|
| Molecular Weight | 296.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.1736 |
| Heavy Atoms | 21 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 69766-29-6 |
|---|---|
| SMILES | CC(C)CCC1(C(=O)NC(=O)NC1=O)CC(=O)C(C)(C)C |
| InChIKey | PJVZTXOOXATUPQ-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl- (CAS 69766-29-6), with molecular formula C15H24N2O4 and molecular weight 296.17 g/mol. IUPAC: 5-(3,3-dimethyl-2-oxobutyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl-
Property Insights of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl-. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl- 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-((2,2-dimethylpropionyl)methyl)-5-isopentyl-?
The CAS number of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl- is 69766-29-6.
What is the molecular formula of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl-?
The molecular formula of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl- is C15H24N2O4.
What is the molecular weight of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl-?
The molecular weight of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl- is 296.17 g/mol.
Where can I buy Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl-?
You can request a quote for Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl- 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-((2,2-dimethylpropionyl)methyl)-5-isopentyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-isopentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.