Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-
TL;DR: Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy- (CAS 55664-77-2) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate
Also Known As: 1-Methyl-5-propionoxy-5-(1-phenylethyl)barbituric acid, Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-, 5-25-03-00338 (Beilstein Handbook Reference), 1-methyl-5-5-propionyloxy-2,4,6 -pyrimidinetrione, 1-Methyl-5- -5-propionyloxy-2,4,6 -pyrimidinetrione
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 55664-77-2 |
|---|---|
| SMILES | CCC(=O)OC1(C(=O)NC(=O)N(C1=O)C)C(C)C2=CC=CC=C2 |
| InChIKey | DRYNBDDKJPGBDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy- (CAS 55664-77-2), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: [1-methyl-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate.
Chemical Property Profile of Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-
Property Insights of Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-. Following Lipinski's Rule of Five, Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy- has 1 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, 1-methyl-5-(1-phenethyl)-5-propionyloxy-?
The CAS number of Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy- is 55664-77-2.
What is the molecular formula of Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-?
The molecular formula of Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy- is C16H18N2O5.
What is the molecular weight of Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-?
The molecular weight of Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy- is 318.12 g/mol.
Where can I buy Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-?
You can request a quote for Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.