Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-
TL;DR: Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)- (CAS 66940-74-7) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide
Also Known As: 4-24-00-02037 (Beilstein Handbook Reference), 5,5-Diallyl-1-(N,N-diethylcarbamoylmethyl)barbituric acid, BARBITURIC ACID, 5,5-DIALLYL-1-(N,N-DIETHYLCARBAMOYLMETHYL)-, 1(2H)-Pyrimidineacetamide, N,N-diethyltetrahydro-2,4,6-trioxo-5,5-di-2-propenyl-, 5,5-Diallyl-1-(diethylaminocarbonylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C16H23N3O4 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 321.16885 |
| Heavy Atoms | 23 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 66940-74-7 |
|---|---|
| SMILES | CCN(CC)C(=O)CN1C(=O)C(C(=O)NC1=O)(CC=C)CC=C |
| InChIKey | CUAFNQYQUIWZFW-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)- (CAS 66940-74-7), with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol. IUPAC: N,N-diethyl-2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide.
Chemical Property Profile of Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-
Property Insights of Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)- has 1 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, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-?
The CAS number of Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)- is 66940-74-7.
What is the molecular formula of Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-?
The molecular formula of Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)- is C16H23N3O4.
What is the molecular weight of Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-?
The molecular weight of Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)- is 321.17 g/mol.
Where can I buy Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-?
You can request a quote for Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)- 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-(N,N-diethylcarbamoylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.