Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-
TL;DR: Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl- (CAS 66942-09-4) is a chemical compound with molecular formula C13H15BrN2O3 and molecular weight 326.0266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-bromoprop-2-enyl)-5-cyclopent-2-en-1-yl-1-methyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-methyl-5-5- barbituricacid, 1-Methyl-5- -5- barbituricacid, 4-24-00-02065 (Beilstein Handbook Reference), 5-(2-Bromoallyl)-5-(2-cyclopentenyl)-1-methylbarbituric acid, BARBITURIC ACID, 5-(2-BROMOALLYL)-5-(2-CYCLOPENTENYL)-1-METHYL-
Technical Specifications
| Molecular Formula | C13H15BrN2O3 |
| Molecular Weight | 326.0266 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0266 Da |
| Heavy Atoms | 19 |
| Complexity | 500.0 |
| SMILES | CN1C(=O)C(C(=O)NC1=O)(CC(=C)Br)C2CCC=C2 |
| InChIKey | JHODWEUJCNIYPJ-UHFFFAOYSA-N |
Chemical Property Profile of Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-
Property Insights of Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl- 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
What is the CAS number of Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-?
The CAS number of Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl- is 66942-09-4.
What is the molecular formula of Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-?
The molecular formula of Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl- is C13H15BrN2O3.
What is the molecular weight of Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-?
The molecular weight of Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl- is 326.0266 g/mol.
Where can I buy Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-?
You can request a quote for Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-?
Yes, CoreyChem provides custom synthesis services for Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.