Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt
TL;DR: Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt (CAS 66968-32-9) is a chemical compound with molecular formula C15H26N2O3 and molecular weight 282.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5-(2-ethyl-5-methylhexyl)barbituric acid sodium salt, Sodium 5-ethyl-5-(2-ethyl-5-methylhexyl)barbiturate, Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt, 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-ethyl-5-methylhexyl)-
| Molecular Formula | C15H26N2O3 |
|---|---|
| Molecular Weight | 282.19 g/mol |
| LogP | 2.6013 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.19434 |
| Heavy Atoms | 20 |
| Complexity | 370.57986 |
Chemical Identifiers
| CAS Number | 66968-32-9 |
|---|---|
| SMILES | CCC(CCC(C)C)CC1(C(=O)NC(=O)NC1=O)CC |
Product Overview
Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt (CAS 66968-32-9), with molecular formula C15H26N2O3 and molecular weight 282.19 g/mol. IUPAC: 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt
Property Insights of Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt
The XLogP value of 2.6013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt 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-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt?
The CAS number of Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt is 66968-32-9.
What is the molecular formula of Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt?
The molecular formula of Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt is C15H26N2O3.
What is the molecular weight of Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt?
The molecular weight of Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt is 282.19 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt?
You can request a quote for Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt 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-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-(2-ethyl-5-methylhexyl)-, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.