Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-
TL;DR: Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)- (CAS 66940-91-8) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1-[2-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5,5-Diethyl-1-(4-methoxyphenethyl)barbituric acid, BARBITURIC ACID, 5,5-DIETHYL-1-(4-METHOXYPHENETHYL)-, 4-24-00-01915 (Beilstein Handbook Reference), 1-(4-Methoxy-beta-phenylethyl)-5,5-diethylbarbituric acid, 5,5-diethyl-1-[2-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 66940-91-8 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CCC2=CC=C(C=C2)OC)CC |
| InChIKey | IUWJKEURFLBXIU-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)- (CAS 66940-91-8), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: 5,5-diethyl-1-[2-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-
Property Insights of Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)- has 1 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, 5,5-diethyl-1-(4-methoxyphenethyl)-?
The CAS number of Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)- is 66940-91-8.
What is the molecular formula of Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-?
The molecular formula of Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)- is C17H22N2O4.
What is the molecular weight of Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-?
The molecular weight of Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)- is 318.16 g/mol.
Where can I buy Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-?
You can request a quote for Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.