5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CAS 66941-81-9) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-but-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5-(1-methylpropenyl)barbituric acid, Barbituric acid, 5-allyl-5-(1-methylpropenyl), 4-24-00-02042 (Beilstein Handbook Reference), BARBITURIC ACID, 5-ALLYL-5-(1-METHYLPROPENYL)-, 5-but-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 66941-81-9 |
|---|---|
| SMILES | CC=C(C)C1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | WPIQHWSPEILYJT-UHFFFAOYSA-N |
Product Overview
5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CAS 66941-81-9), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 5-but-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione 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-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is 66941-81-9.
What is the molecular formula of 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C11H14N2O3.
What is the molecular weight of 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is 222.10 g/mol.
Where can I buy 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-But-2-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.