Barbituric acid, 5-ethyl-5-isopropenyl-
TL;DR: Barbituric acid, 5-ethyl-5-isopropenyl- (CAS 66968-60-3) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 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-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5-isopropenylbarbituric acid, BARBITURIC ACID, 5-ETHYL-5-ISOPROPENYL-, 5-Ethyl-5-isopropenylbarbituricacid, 4-24-00-01984 (Beilstein Handbook Reference), 5-ethyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 66968-60-3 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C(=C)C |
| InChIKey | ARCGEFUZGYBIFB-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-ethyl-5-isopropenyl- (CAS 66968-60-3), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: 5-ethyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-isopropenyl-
Property Insights of Barbituric acid, 5-ethyl-5-isopropenyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-isopropenyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-isopropenyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-isopropenyl- 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-isopropenyl-?
The CAS number of Barbituric acid, 5-ethyl-5-isopropenyl- is 66968-60-3.
What is the molecular formula of Barbituric acid, 5-ethyl-5-isopropenyl-?
The molecular formula of Barbituric acid, 5-ethyl-5-isopropenyl- is C9H12N2O3.
What is the molecular weight of Barbituric acid, 5-ethyl-5-isopropenyl-?
The molecular weight of Barbituric acid, 5-ethyl-5-isopropenyl- is 196.08 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-isopropenyl-?
You can request a quote for Barbituric acid, 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, 5-ethyl-5-isopropenyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-isopropenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.