Barbituric acid, 5,5-diallyl-1-heptyl-
TL;DR: Barbituric acid, 5,5-diallyl-1-heptyl- (CAS 66940-75-8) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-heptyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5,5-Diallyl-1-heptylbarbituric acid, BARBITURIC ACID, 5,5-DIALLYL-1-HEPTYL-, 5,5-Diallyl-1-heptyl-2,4,6 -pyrimidinetrione, 5,5-Diallyl-1-heptyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 1-heptyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H26N2O3 |
|---|---|
| Molecular Weight | 306.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 306.19434 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 66940-75-8 |
|---|---|
| SMILES | CCCCCCCN1C(=O)C(C(=O)NC1=O)(CC=C)CC=C |
| InChIKey | WOEQIPNOTVJVHA-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5,5-diallyl-1-heptyl- (CAS 66940-75-8), with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol. IUPAC: 1-heptyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5,5-diallyl-1-heptyl-
Property Insights of Barbituric acid, 5,5-diallyl-1-heptyl-
The XLogP value of 4.4 indicates that Barbituric acid, 5,5-diallyl-1-heptyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5,5-diallyl-1-heptyl-. Following Lipinski's Rule of Five, Barbituric acid, 5,5-diallyl-1-heptyl- has 1 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, 5,5-diallyl-1-heptyl-?
The CAS number of Barbituric acid, 5,5-diallyl-1-heptyl- is 66940-75-8.
What is the molecular formula of Barbituric acid, 5,5-diallyl-1-heptyl-?
The molecular formula of Barbituric acid, 5,5-diallyl-1-heptyl- is C17H26N2O3.
What is the molecular weight of Barbituric acid, 5,5-diallyl-1-heptyl-?
The molecular weight of Barbituric acid, 5,5-diallyl-1-heptyl- is 306.19 g/mol.
Where can I buy Barbituric acid, 5,5-diallyl-1-heptyl-?
You can request a quote for Barbituric acid, 5,5-diallyl-1-heptyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5,5-diallyl-1-heptyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5,5-diallyl-1-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.