Barbituric acid, 5-ethyl-5-(1-isopentenyl)-
TL;DR: Barbituric acid, 5-ethyl-5-(1-isopentenyl)- (CAS 66968-52-3) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-[(E)-3-methylbut-1-enyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5- barbituricacid, 5-Ethyl-5-(1-isopentenyl)barbituric acid, BARBITURIC ACID, 5-ETHYL-5-(1-ISOPENTENYL)-, 5-Ethyl-5-(3-methyl-1-butenyl)barbituric acid, 5-ethyl-5-(3-methylbut-1-en-1-yl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 0.961 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 338.24118 |
Chemical Identifiers
| CAS Number | 66968-52-3 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)/C=C/C(C)C |
Product Overview
Barbituric acid, 5-ethyl-5-(1-isopentenyl)- (CAS 66968-52-3), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: 5-ethyl-5-[(E)-3-methylbut-1-enyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-(1-isopentenyl)-
Property Insights of Barbituric acid, 5-ethyl-5-(1-isopentenyl)-
The XLogP value of 0.961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(1-isopentenyl)-. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(1-isopentenyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(1-isopentenyl)- 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-ethyl-5-(1-isopentenyl)-?
The CAS number of Barbituric acid, 5-ethyl-5-(1-isopentenyl)- is 66968-52-3.
What is the molecular formula of Barbituric acid, 5-ethyl-5-(1-isopentenyl)-?
The molecular formula of Barbituric acid, 5-ethyl-5-(1-isopentenyl)- is C11H16N2O3.
What is the molecular weight of Barbituric acid, 5-ethyl-5-(1-isopentenyl)-?
The molecular weight of Barbituric acid, 5-ethyl-5-(1-isopentenyl)- is 224.12 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-(1-isopentenyl)-?
You can request a quote for Barbituric acid, 5-ethyl-5-(1-isopentenyl)- 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-ethyl-5-(1-isopentenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-(1-isopentenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.