Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-
TL;DR: Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl- (CAS 42061-68-7) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-(methoxymethyl)-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: 3-(Methoxymethyl)-1-methylphenobarbital, 1-Methyl-3-methoxymethyl-phenobarbital, 5-Ethyl-3-(methoxymethyl)-1-methyl-5-phenylbarbituric acid, 5-24-09-00296 (Beilstein Handbook Reference), 5-ethyl-1-(methoxymethyl)-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C15H18N2O4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.12665 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 42061-68-7 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)COC)C)C2=CC=CC=C2 |
| InChIKey | HEUUPESYFVKOLK-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl- (CAS 42061-68-7), with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol. IUPAC: 5-ethyl-1-(methoxymethyl)-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-
Property Insights of Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl- has 0 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 Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-?
The CAS number of Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl- is 42061-68-7.
What is the molecular formula of Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-?
The molecular formula of Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl- is C15H18N2O4.
What is the molecular weight of Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-?
The molecular weight of Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl- is 290.13 g/mol.
Where can I buy Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-?
You can request a quote for Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl- 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-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-3-(methoxymethyl)-1-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.