Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride
TL;DR: Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride (CAS 110459-52-4) is a chemical compound with molecular formula C18H32ClN3O3 and molecular weight 373.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trione chloride
Also Known As: 5-Heptyl-5-(2-piperidinoethyl)barbituric acid hydrochloride, BARBITURIC ACID, 5-HEPTYL-5-(2-PIPERIDINOETHYL)-, HYDROCHLORIDE, 5-Heptyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trionechloride, 5-heptyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trione, 1-[2-(5-heptyl-2,4,6-trioxohexahydropyrimidin-5-yl)ethyl]piperidinium chloride
| Molecular Formula | C18H32ClN3O3 |
|---|---|
| Molecular Weight | 373.21 g/mol |
| LogP | -1.84 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.21323 |
| Heavy Atoms | 25 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 110459-52-4 |
|---|---|
| SMILES | CCCCCCCC1(C(=O)NC(=O)NC1=O)CC[NH+]2CCCCC2.[Cl-] |
| InChIKey | XNJKINGTRXXUEL-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride (CAS 110459-52-4), with molecular formula C18H32ClN3O3 and molecular weight 373.21 g/mol. IUPAC: 5-heptyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trione chloride.
Chemical Property Profile of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride
Property Insights of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride
The XLogP value of -1.84 indicates that Barbituric acid, 5-heptyl-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-heptyl-5-(2-piperidinoethyl)-, hydrochloride. Following Lipinski's Rule of Five, Barbituric acid, 5-heptyl-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
Frequently Asked Questions
What is the CAS number of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride?
The CAS number of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride is 110459-52-4.
What is the molecular formula of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride?
The molecular formula of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride is C18H32ClN3O3.
What is the molecular weight of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride?
The molecular weight of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride is 373.21 g/mol.
Where can I buy Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride?
You can request a quote for Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride 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-heptyl-5-(2-piperidinoethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.