Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-
TL;DR: Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl- (CAS 66940-61-2) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyclopent-2-en-1-yl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-5-isobutylbarbituricacid, 5- -5-isobutylbarbituricacid, 5-(2-Cyclopentenyl)-5-isobutylbarbituric acid, BARBITURIC ACID, 5-(2-CYCLOPENTENYL)-5-ISOBUTYL-, 4-24-00-02058 (Beilstein Handbook Reference)
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 66940-61-2 |
|---|---|
| SMILES | CC(C)CC1(C(=O)NC(=O)NC1=O)C2CCC=C2 |
| InChIKey | FXJHZYJGXPWKPZ-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl- (CAS 66940-61-2), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 5-cyclopent-2-en-1-yl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-
Property Insights of Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl- 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-(2-cyclopentenyl)-5-isobutyl-?
The CAS number of Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl- is 66940-61-2.
What is the molecular formula of Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-?
The molecular formula of Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl- is C13H18N2O3.
What is the molecular weight of Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-?
The molecular weight of Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl- is 250.13 g/mol.
Where can I buy Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-?
You can request a quote for Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl- 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-(2-cyclopentenyl)-5-isobutyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.