Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride
TL;DR: Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride (CAS 111474-50-1) is a chemical compound with molecular formula C18H24ClN3O4 and molecular weight 381.14554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-oxobutyl]-dimethylazanium chloride
Also Known As: 1-(4-Dimethylamino-2-oxobutyl)-5-ethyl-5-phenylbarbituric acid hydrochloride, BARBITURIC ACID, 1-(4-DIMETHYLAMINO-2-OXOBUTYL)-5-ETHYL-5-PHENYL-, HYDROCHLORIDE, [4-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-oxobutyl]-dimethylazanium chloride, [4-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-oxobutyl]-dimethylazanium, 4-(5-ethyl-2,4,6-trioxo-5-phenyltetrahydropyrimidin-1(2h)-yl)-n,n-dimethyl-3-oxobutan-1-aminium chloride
Technical Specifications
| Molecular Formula | C18H24ClN3O4 |
| Molecular Weight | 381.14554 g/mol |
| XLogP | -3.48 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.14554 Da |
| Heavy Atoms | 26 |
| Complexity | 555.0 |
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CC(=O)CC[NH+](C)C)C2=CC=CC=C2.[Cl-] |
| InChIKey | LPSPKLQOLVEAJU-UHFFFAOYSA-N |
Chemical Property Profile of Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride
Property Insights of Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride
The XLogP value of -3.48 indicates that Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride. Following Lipinski's Rule of Five, Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride?
The CAS number of Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride is 111474-50-1.
What is the molecular formula of Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride?
The molecular formula of Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride is C18H24ClN3O4.
What is the molecular weight of Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride?
The molecular weight of Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride is 381.14554 g/mol.
Where can I buy Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride?
You can request a quote for Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Barbituric acid, 1-(4-dimethylamino-2-oxobutyl)-5-ethyl-5-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.