Barbituric acid, 1-benzyl-5,5-diallyl-
TL;DR: Barbituric acid, 1-benzyl-5,5-diallyl- (CAS 66941-96-6) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: BARBITURIC ACID, 1-BENZYL-5,5-DIALLYL-, 1-Benzyl-5,5-diallylbarbituric acid, 5,5-Diallyl-1-benzylbarbituric acid, 5-24-09-00248 (Beilstein Handbook Reference), 1-benzyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 66941-96-6 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)CC=C |
| InChIKey | DMNLJTFWKSDUEN-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-benzyl-5,5-diallyl- (CAS 66941-96-6), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: 1-benzyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1-benzyl-5,5-diallyl-
Property Insights of Barbituric acid, 1-benzyl-5,5-diallyl-
The XLogP value of 3.0 indicates that Barbituric acid, 1-benzyl-5,5-diallyl- 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, 1-benzyl-5,5-diallyl-. Following Lipinski's Rule of Five, Barbituric acid, 1-benzyl-5,5-diallyl- 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, 1-benzyl-5,5-diallyl-?
The CAS number of Barbituric acid, 1-benzyl-5,5-diallyl- is 66941-96-6.
What is the molecular formula of Barbituric acid, 1-benzyl-5,5-diallyl-?
The molecular formula of Barbituric acid, 1-benzyl-5,5-diallyl- is C17H18N2O3.
What is the molecular weight of Barbituric acid, 1-benzyl-5,5-diallyl-?
The molecular weight of Barbituric acid, 1-benzyl-5,5-diallyl- is 298.13 g/mol.
Where can I buy Barbituric acid, 1-benzyl-5,5-diallyl-?
You can request a quote for Barbituric acid, 1-benzyl-5,5-diallyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1-benzyl-5,5-diallyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-benzyl-5,5-diallyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.