Barbituric acid, 5,5-bis(3-methyl-2-butenyl)-
TL;DR: Barbituric acid, 5,5-bis(3-methyl-2-butenyl)- (CAS 66942-06-1) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-bis(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5,5-Bis(3-methyl-2-butenyl)barbituric acid, BARBITURIC ACID, 5,5-BIS(3-METHYL-2-BUTENYL)-, 4-24-00-02059 (Beilstein Handbook Reference), 5,5-bis(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione, 5,5-BIS(3-METHYLBUT-2-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 66942-06-1 |
|---|---|
| SMILES | CC(=CCC1(C(=O)NC(=O)NC1=O)CC=C(C)C)C |
| InChIKey | ABEJKQCMOZWDQB-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5,5-bis(3-methyl-2-butenyl)- (CAS 66942-06-1), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: 5,5-bis(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5,5-bis(3-methyl-2-butenyl)-
Property Insights of Barbituric acid, 5,5-bis(3-methyl-2-butenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5,5-bis(3-methyl-2-butenyl)-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5,5-bis(3-methyl-2-butenyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5,5-bis(3-methyl-2-butenyl)- has 2 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-bis(3-methyl-2-butenyl)-?
The CAS number of Barbituric acid, 5,5-bis(3-methyl-2-butenyl)- is 66942-06-1.
What is the molecular formula of Barbituric acid, 5,5-bis(3-methyl-2-butenyl)-?
The molecular formula of Barbituric acid, 5,5-bis(3-methyl-2-butenyl)- is C14H20N2O3.
What is the molecular weight of Barbituric acid, 5,5-bis(3-methyl-2-butenyl)-?
The molecular weight of Barbituric acid, 5,5-bis(3-methyl-2-butenyl)- is 264.15 g/mol.
Where can I buy Barbituric acid, 5,5-bis(3-methyl-2-butenyl)-?
You can request a quote for Barbituric acid, 5,5-bis(3-methyl-2-butenyl)- 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-bis(3-methyl-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5,5-bis(3-methyl-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.