5-Allyl-5-(2,3-epoxypropyl)barbituric acid
TL;DR: 5-Allyl-5-(2,3-epoxypropyl)barbituric acid (CAS 65685-97-4) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(oxiran-2-ylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Allobarbital epoxide, NIOSH/CP8412700, 5-Allyl-5-(2,3-epoxypropyl)barbituric acid, 5-Allyl-5-(oxiranylmethyl)barbituric acid, Barbituric acid, 5-allyl-5-(2,3-epoxypropyl)-
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 65685-97-4 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)NC1=O)CC2CO2 |
| InChIKey | FGXVEFBZEIUCGV-UHFFFAOYSA-N |
Product Overview
5-Allyl-5-(2,3-epoxypropyl)barbituric acid (CAS 65685-97-4), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: 5-(oxiran-2-ylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Allyl-5-(2,3-epoxypropyl)barbituric acid
Property Insights of 5-Allyl-5-(2,3-epoxypropyl)barbituric acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Allyl-5-(2,3-epoxypropyl)barbituric acid. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Allyl-5-(2,3-epoxypropyl)barbituric acid. Following Lipinski's Rule of Five, 5-Allyl-5-(2,3-epoxypropyl)barbituric acid has 2 hydrogen bond donor(s) and 4 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-Allyl-5-(2,3-epoxypropyl)barbituric acid?
The CAS number of 5-Allyl-5-(2,3-epoxypropyl)barbituric acid is 65685-97-4.
What is the molecular formula of 5-Allyl-5-(2,3-epoxypropyl)barbituric acid?
The molecular formula of 5-Allyl-5-(2,3-epoxypropyl)barbituric acid is C10H12N2O4.
What is the molecular weight of 5-Allyl-5-(2,3-epoxypropyl)barbituric acid?
The molecular weight of 5-Allyl-5-(2,3-epoxypropyl)barbituric acid is 224.08 g/mol.
Where can I buy 5-Allyl-5-(2,3-epoxypropyl)barbituric acid?
You can request a quote for 5-Allyl-5-(2,3-epoxypropyl)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-Allyl-5-(2,3-epoxypropyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Allyl-5-(2,3-epoxypropyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.