Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride
TL;DR: Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride (CAS 108996-55-0) is a chemical compound with molecular formula C13H22ClN3O3 and molecular weight 303.13498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trione chloride
Also Known As: 5-Ethyl-5-(2-piperidinoethyl)barbituric acid hydrochloride, BARBITURIC ACID, 5-ETHYL-5-(2-PIPERIDINOETHYL)-, HYDROCHLORIDE, 5-Ethyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trionechloride, 5-ethyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trione, 1-[2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)ethyl]piperidinium chloride
Technical Specifications
| Molecular Formula | C13H22ClN3O3 |
| Molecular Weight | 303.13498 g/mol |
| XLogP | -3.79 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.13498 Da |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CC[NH+]2CCCCC2.[Cl-] |
| InChIKey | CUPPPUZFYZMIOQ-UHFFFAOYSA-N |
Chemical Property Profile of Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride
Property Insights of Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride
The XLogP value of -3.79 indicates that Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride has 3 hydrogen bond donor(s) and 4 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, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride?
The CAS number of Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride is 108996-55-0.
What is the molecular formula of Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride?
The molecular formula of Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride is C13H22ClN3O3.
What is the molecular weight of Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride?
The molecular weight of Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride is 303.13498 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride?
You can request a quote for Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Barbituric acid, 5-ethyl-5-(2-piperidinoethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.