Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-
TL;DR: Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)- (CAS 53761-08-3) is a chemical compound with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylperoxy-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Also Known As: BARBITURIC ACID, 5-tert-BUTYLPEROXY-5-(1-PHENETHYL)-, 5-tert-Butylperoxy-5-(1-phenylethyl)barbituric acid, 5-tert-butylperoxy-5-phenethyl-1,3-diazinane-2,4,6-trione, 5-tert-butylperoxy-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione, 5-(tert-Butylperoxy)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C16H20N2O5 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.1372 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 53761-08-3 |
|---|---|
| SMILES | CC(C)(C)OOC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2 |
| InChIKey | SNMPZGYSPHLFLT-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)- (CAS 53761-08-3), with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol. IUPAC: 5-tert-butylperoxy-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-
Property Insights of Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)- has 2 hydrogen bond donor(s) and 5 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-tert-butylperoxy-5-(1-phenethyl)-?
The CAS number of Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)- is 53761-08-3.
What is the molecular formula of Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-?
The molecular formula of Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)- is C16H20N2O5.
What is the molecular weight of Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-?
The molecular weight of Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)- is 320.14 g/mol.
Where can I buy Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)-?
You can request a quote for Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)- 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-tert-butylperoxy-5-(1-phenethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-tert-butylperoxy-5-(1-phenethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.