Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-
TL;DR: Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)- (CAS 66940-77-0) is a chemical compound with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,3-dimethoxyphenyl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5,5-Diethyl-1- barbituricacid, 5,5-Diethyl-1-(2,3-dimethoxyphenethyl)barbituric acid, 4-24-00-01915 (Beilstein Handbook Reference), BARBITURIC ACID, 5,5-DIETHYL-1-(2,3-DIMETHOXYPHENETHYL)-, 1-(2,3-Dimethoxy-beta-phenylethyl)-5,5-diethylbarbituric acid
| Molecular Formula | C18H24N2O5 |
|---|---|
| Molecular Weight | 348.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.16852 |
| Heavy Atoms | 25 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 66940-77-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CCC2=C(C(=CC=C2)OC)OC)CC |
| InChIKey | JZOAOAHNNJCXCR-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)- (CAS 66940-77-0), with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol. IUPAC: 1-[2-(2,3-dimethoxyphenyl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-
Property Insights of Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)- 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, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-?
The CAS number of Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)- is 66940-77-0.
What is the molecular formula of Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-?
The molecular formula of Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)- is C18H24N2O5.
What is the molecular weight of Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-?
The molecular weight of Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)- is 348.17 g/mol.
Where can I buy Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-?
You can request a quote for Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)- 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-(2,3-dimethoxyphenethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.