1-Methyl-5-phenyl-5-propylbarbituric acid
TL;DR: 1-Methyl-5-phenyl-5-propylbarbituric acid (CAS 36045-93-9) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
Also Known As: MPPB, 1-Methyl-5-phenyl-5-propylbarbituric acid, NIOSH/CQ7246000, 1-Methyl-5-phenyl-5-propylbarbiturate, 1-Methyl-5-phenyl-5-propyl-barbitursaeure
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 36045-93-9 |
|---|---|
| SMILES | CCCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2 |
| InChIKey | ZPEFWBKTKHZGQU-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-phenyl-5-propylbarbituric acid (CAS 36045-93-9), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 1-methyl-5-phenyl-5-propyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-Methyl-5-phenyl-5-propylbarbituric acid
Property Insights of 1-Methyl-5-phenyl-5-propylbarbituric acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-phenyl-5-propylbarbituric acid. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-phenyl-5-propylbarbituric acid. Following Lipinski's Rule of Five, 1-Methyl-5-phenyl-5-propylbarbituric acid has 1 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 1-Methyl-5-phenyl-5-propylbarbituric acid?
The CAS number of 1-Methyl-5-phenyl-5-propylbarbituric acid is 36045-93-9.
What is the molecular formula of 1-Methyl-5-phenyl-5-propylbarbituric acid?
The molecular formula of 1-Methyl-5-phenyl-5-propylbarbituric acid is C14H16N2O3.
What is the molecular weight of 1-Methyl-5-phenyl-5-propylbarbituric acid?
The molecular weight of 1-Methyl-5-phenyl-5-propylbarbituric acid is 260.12 g/mol.
Where can I buy 1-Methyl-5-phenyl-5-propylbarbituric acid?
You can request a quote for 1-Methyl-5-phenyl-5-propylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-phenyl-5-propylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-phenyl-5-propylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.