Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-
TL;DR: Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl- (CAS 66941-65-9) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-prop-1-en-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-Allyl-5-ethyl-5-isopropenylbarbituric acid, BARBITURIC ACID, 1-ALLYL-5-ETHYL-5-ISOPROPENYL-, 4-24-00-01984 (Beilstein Handbook Reference), 5-ethyl-5-prop-1-en-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, 1-Allyl-5-ethyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 66941-65-9 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CC=C)C(=C)C |
| InChIKey | SGAWCNSMXBBICW-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl- (CAS 66941-65-9), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 5-ethyl-5-prop-1-en-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-
Property Insights of Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-. Following Lipinski's Rule of Five, Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl- 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-allyl-5-ethyl-5-isopropenyl-?
The CAS number of Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl- is 66941-65-9.
What is the molecular formula of Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-?
The molecular formula of Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl- is C12H16N2O3.
What is the molecular weight of Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-?
The molecular weight of Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl- is 236.12 g/mol.
Where can I buy Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-?
You can request a quote for Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl- 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-allyl-5-ethyl-5-isopropenyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.