Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-
TL;DR: Barbituric acid, 5-ethyl-5-isobutyl-1-methyl- (CAS 66968-49-8) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5-isobutyl-1-methylbarbituric acid, BARBITURIC ACID, 5-ETHYL-5-ISOBUTYL-1-METHYL-, 5-Ethyl-5-isobutyl-1-methylbarbituricacid, 5-ethyl-5-isobutyl-1-methyl-barbituric acid, 4-24-00-01945 (Beilstein Handbook Reference)
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 66968-49-8 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C)CC(C)C |
| InChIKey | FLXFFXNIDNSPTI-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-ethyl-5-isobutyl-1-methyl- (CAS 66968-49-8), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: 5-ethyl-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-
Property Insights of Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-isobutyl-1-methyl- 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 Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-?
The CAS number of Barbituric acid, 5-ethyl-5-isobutyl-1-methyl- is 66968-49-8.
What is the molecular formula of Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-?
The molecular formula of Barbituric acid, 5-ethyl-5-isobutyl-1-methyl- is C11H18N2O3.
What is the molecular weight of Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-?
The molecular weight of Barbituric acid, 5-ethyl-5-isobutyl-1-methyl- is 226.13 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-?
You can request a quote for Barbituric acid, 5-ethyl-5-isobutyl-1-methyl- 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-isobutyl-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-isobutyl-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.