Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl-
TL;DR: Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl- (CAS 69766-59-2) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.13 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-ethyl-1,3-diazinane-2,4,6-trione
Also Known As: Barbituric acid, 5-ethyl-5-pinacolonyl-, 4-24-00-02169 (Beilstein Handbook Reference), BARBITURIC ACID, 5-((2,2-DIMETHYLPROPIONYL)METHYL)-5-ETHYL-, 5-((2,2-Dimethylpropionyl)methyl)-5-ethylbarbituric acid, 5-(3,3-dimethyl-2-oxobutyl)-5-ethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 69766-59-2 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CC(=O)C(C)(C)C |
| InChIKey | UEHAQDHYXQVXNA-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl- (CAS 69766-59-2), with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol. IUPAC: 5-(3,3-dimethyl-2-oxobutyl)-5-ethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl-
Property Insights of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl-. 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-ethyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl- 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-ethyl-?
The CAS number of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl- is 69766-59-2.
What is the molecular formula of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl-?
The molecular formula of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl- is C12H18N2O4.
What is the molecular weight of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl-?
The molecular weight of Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl- is 254.13 g/mol.
Where can I buy Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl-?
You can request a quote for Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl- 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-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-((2,2-dimethylpropionyl)methyl)-5-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.