Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)-
TL;DR: Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)- (CAS 69766-33-2) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 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-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Barbituric acid, 5-allyl-5-pinacolonyl-, 4-24-00-02174 (Beilstein Handbook Reference), BARBITURIC ACID, 5-ALLYL-5-((2,2-DIMETHYLPROPIONYL)METHYL)-, 5-Allyl-5-((2,2-dimethylpropionyl)methyl)barbituric acid, 5-(3,3-dimethyl-2-oxobutyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 69766-33-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | GUDLRUGAKJTKDZ-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)- (CAS 69766-33-2), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: 5-(3,3-dimethyl-2-oxobutyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)-
Property Insights of Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)-. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)- 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-allyl-5-((2,2-dimethylpropionyl)methyl)-?
The CAS number of Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)- is 69766-33-2.
What is the molecular formula of Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)-?
The molecular formula of Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)- is C13H18N2O4.
What is the molecular weight of Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)-?
The molecular weight of Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)- is 266.13 g/mol.
Where can I buy Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)-?
You can request a quote for Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)- 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-allyl-5-((2,2-dimethylpropionyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-5-((2,2-dimethylpropionyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.