Barbituric acid, 5-ethyl-5-(isobutoxymethyl)-
TL;DR: Barbituric acid, 5-ethyl-5-(isobutoxymethyl)- (CAS 66968-48-7) is a chemical compound with molecular formula C11H18N2O4 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(2-methylpropoxymethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5-(isobutoxymethyl)barbituric acid, BARBITURIC ACID, 5-ETHYL-5-(ISOBUTOXYMETHYL)-, 2-25-00-00064 (Beilstein Handbook Reference), 5-ethyl-5-(2-methylpropoxymethyl)-1,3-diazinane-2,4,6-trione, 5-ethyl-5-[(2-methylpropoxy)methyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H18N2O4 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.12666 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 66968-48-7 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)COCC(C)C |
| InChIKey | GVUBXECJBNHTMF-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-ethyl-5-(isobutoxymethyl)- (CAS 66968-48-7), with molecular formula C11H18N2O4 and molecular weight 242.13 g/mol. IUPAC: 5-ethyl-5-(2-methylpropoxymethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-(isobutoxymethyl)-
Property Insights of Barbituric acid, 5-ethyl-5-(isobutoxymethyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(isobutoxymethyl)-. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(isobutoxymethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(isobutoxymethyl)- has 2 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-5-(isobutoxymethyl)-?
The CAS number of Barbituric acid, 5-ethyl-5-(isobutoxymethyl)- is 66968-48-7.
What is the molecular formula of Barbituric acid, 5-ethyl-5-(isobutoxymethyl)-?
The molecular formula of Barbituric acid, 5-ethyl-5-(isobutoxymethyl)- is C11H18N2O4.
What is the molecular weight of Barbituric acid, 5-ethyl-5-(isobutoxymethyl)-?
The molecular weight of Barbituric acid, 5-ethyl-5-(isobutoxymethyl)- is 242.13 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-(isobutoxymethyl)-?
You can request a quote for Barbituric acid, 5-ethyl-5-(isobutoxymethyl)- 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-5-(isobutoxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-(isobutoxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.