Barbituric acid, 5,5-diethyl-1-isopentyl-
TL;DR: Barbituric acid, 5,5-diethyl-1-isopentyl- (CAS 66940-87-2) is a chemical compound with molecular formula C13H22N2O3 and molecular weight 254.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5,5-Diethyl-1-isopentylbarbituric acid, BARBITURIC ACID, 5,5-DIETHYL-1-ISOPENTYL-, 4-24-00-01907 (Beilstein Handbook Reference), 5,5-diethyl-1-(3-methylbutyl)-1,3-diazinane-2,4,6-trione, 5,5-Diethyl-1-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C13H22N2O3 |
|---|---|
| Molecular Weight | 254.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.16304 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 66940-87-2 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CCC(C)C)CC |
| InChIKey | ANRPSQFFIAOJMI-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5,5-diethyl-1-isopentyl- (CAS 66940-87-2), with molecular formula C13H22N2O3 and molecular weight 254.16 g/mol. IUPAC: 5,5-diethyl-1-(3-methylbutyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5,5-diethyl-1-isopentyl-
Property Insights of Barbituric acid, 5,5-diethyl-1-isopentyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5,5-diethyl-1-isopentyl-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5,5-diethyl-1-isopentyl-. Following Lipinski's Rule of Five, Barbituric acid, 5,5-diethyl-1-isopentyl- has 1 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, 5,5-diethyl-1-isopentyl-?
The CAS number of Barbituric acid, 5,5-diethyl-1-isopentyl- is 66940-87-2.
What is the molecular formula of Barbituric acid, 5,5-diethyl-1-isopentyl-?
The molecular formula of Barbituric acid, 5,5-diethyl-1-isopentyl- is C13H22N2O3.
What is the molecular weight of Barbituric acid, 5,5-diethyl-1-isopentyl-?
The molecular weight of Barbituric acid, 5,5-diethyl-1-isopentyl- is 254.16 g/mol.
Where can I buy Barbituric acid, 5,5-diethyl-1-isopentyl-?
You can request a quote for Barbituric acid, 5,5-diethyl-1-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, 5,5-diethyl-1-isopentyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5,5-diethyl-1-isopentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.