5-Butyl-5-(1-propenyl)barbituric acid
TL;DR: 5-Butyl-5-(1-propenyl)barbituric acid (CAS 67050-58-2) 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-butyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Butyl-5-(1-propenyl)barbituric acid, 5-butyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione, 5-butyl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 67050-58-2 |
|---|---|
| SMILES | CCCCC1(C(=O)NC(=O)NC1=O)C=CC |
| InChIKey | WAMWJEORSQYEQD-UHFFFAOYSA-N |
Product Overview
5-Butyl-5-(1-propenyl)barbituric acid (CAS 67050-58-2), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: 5-butyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Butyl-5-(1-propenyl)barbituric acid
Property Insights of 5-Butyl-5-(1-propenyl)barbituric acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-5-(1-propenyl)barbituric acid. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Butyl-5-(1-propenyl)barbituric acid. Following Lipinski's Rule of Five, 5-Butyl-5-(1-propenyl)barbituric acid 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 5-Butyl-5-(1-propenyl)barbituric acid?
The CAS number of 5-Butyl-5-(1-propenyl)barbituric acid is 67050-58-2.
What is the molecular formula of 5-Butyl-5-(1-propenyl)barbituric acid?
The molecular formula of 5-Butyl-5-(1-propenyl)barbituric acid is C11H16N2O3.
What is the molecular weight of 5-Butyl-5-(1-propenyl)barbituric acid?
The molecular weight of 5-Butyl-5-(1-propenyl)barbituric acid is 224.12 g/mol.
Where can I buy 5-Butyl-5-(1-propenyl)barbituric acid?
You can request a quote for 5-Butyl-5-(1-propenyl)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-5-(1-propenyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-5-(1-propenyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.