Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-
TL;DR: Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)- (CAS 102176-24-9) is a chemical compound with molecular formula C18H31N3O3 and molecular weight 337.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Heptyl-5-(2-piperidinoethyl)barbituric acid, BARBITURIC ACID, 5-HEPTYL-5-(2-PIPERIDINOETHYL)-, 4-25-00-04248 (Beilstein Handbook Reference), 5-HEPTYL-5-[2-(PIPERIDIN-1-YL)ETHYL]-1,3-DIAZINANE-2,4,6-TRIONE, 5-heptyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H31N3O3 |
|---|---|
| Molecular Weight | 337.24 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 337.23654 |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 102176-24-9 |
|---|---|
| SMILES | CCCCCCCC1(C(=O)NC(=O)NC1=O)CCN2CCCCC2 |
| InChIKey | XLQPEKLKRKRRKS-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)- (CAS 102176-24-9), with molecular formula C18H31N3O3 and molecular weight 337.24 g/mol. IUPAC: 5-heptyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-
Property Insights of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-
The XLogP value of 3.3 indicates that Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)- has 2 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)-?
The CAS number of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)- is 102176-24-9.
What is the molecular formula of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-?
The molecular formula of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)- is C18H31N3O3.
What is the molecular weight of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-?
The molecular weight of Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)- is 337.24 g/mol.
Where can I buy Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-?
You can request a quote for Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)- 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)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.