1-Methyl-5-phenyl-5-butylbarbituric acid
TL;DR: 1-Methyl-5-phenyl-5-butylbarbituric acid (CAS 64091-31-2) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Pseudotubulosine, MPBB, 1-Methyl-5-phenyl-5-butylbarbituric acid, NIOSH/CQ2338000, J2.387.884D
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 64091-31-2 |
|---|---|
| SMILES | CCCCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2 |
| InChIKey | LPJKVDCUVJMVSG-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-phenyl-5-butylbarbituric acid (CAS 64091-31-2), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: 5-butyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-Methyl-5-phenyl-5-butylbarbituric acid
Property Insights of 1-Methyl-5-phenyl-5-butylbarbituric acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-phenyl-5-butylbarbituric acid. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-phenyl-5-butylbarbituric acid. Following Lipinski's Rule of Five, 1-Methyl-5-phenyl-5-butylbarbituric 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-butylbarbituric acid?
The CAS number of 1-Methyl-5-phenyl-5-butylbarbituric acid is 64091-31-2.
What is the molecular formula of 1-Methyl-5-phenyl-5-butylbarbituric acid?
The molecular formula of 1-Methyl-5-phenyl-5-butylbarbituric acid is C15H18N2O3.
What is the molecular weight of 1-Methyl-5-phenyl-5-butylbarbituric acid?
The molecular weight of 1-Methyl-5-phenyl-5-butylbarbituric acid is 274.13 g/mol.
Where can I buy 1-Methyl-5-phenyl-5-butylbarbituric acid?
You can request a quote for 1-Methyl-5-phenyl-5-butylbarbituric 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-butylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-phenyl-5-butylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.