Barbituric acid, 5-methyl-5-(1-methylpentyl)-
TL;DR: Barbituric acid, 5-methyl-5-(1-methylpentyl)- (CAS 66843-05-8) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexan-2-yl-5-methyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Methyl-5-(1-methylpentyl)barbituric acid, 5-Methyl-5- -2,4,6 -pyrimidinetrione, BARBITURIC ACID, 5-METHYL-5-(1-METHYLPENTYL)-, 4-24-00-01950 (Beilstein Handbook Reference), 5-hexan-2-yl-5-methyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 66843-05-8 |
|---|---|
| SMILES | CCCCC(C)C1(C(=O)NC(=O)NC1=O)C |
| InChIKey | GYXUDHNPGGSBBA-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-methyl-5-(1-methylpentyl)- (CAS 66843-05-8), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: 5-hexan-2-yl-5-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-methyl-5-(1-methylpentyl)-
Property Insights of Barbituric acid, 5-methyl-5-(1-methylpentyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-methyl-5-(1-methylpentyl)-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-methyl-5-(1-methylpentyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-methyl-5-(1-methylpentyl)- 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-methyl-5-(1-methylpentyl)-?
The CAS number of Barbituric acid, 5-methyl-5-(1-methylpentyl)- is 66843-05-8.
What is the molecular formula of Barbituric acid, 5-methyl-5-(1-methylpentyl)-?
The molecular formula of Barbituric acid, 5-methyl-5-(1-methylpentyl)- is C11H18N2O3.
What is the molecular weight of Barbituric acid, 5-methyl-5-(1-methylpentyl)-?
The molecular weight of Barbituric acid, 5-methyl-5-(1-methylpentyl)- is 226.13 g/mol.
Where can I buy Barbituric acid, 5-methyl-5-(1-methylpentyl)-?
You can request a quote for Barbituric acid, 5-methyl-5-(1-methylpentyl)- 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-methyl-5-(1-methylpentyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-methyl-5-(1-methylpentyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.