Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-
TL;DR: Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)- (CAS 31555-99-4) is a chemical compound with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(4-oxopentan-2-yl)-1,3-diazinane-2,4,6-trione
Also Known As: 3'-Oxopentobarbitone, Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-, 5-Ethyl-5-(1-methyl-3-oxobutyl)barbituric acid, 5-ethyl-5-(4-oxopentan-2-yl)-1,3-diazinane-2,4,6-trione, 5-ethyl-5-(1-methyl-3-oxo-butyl)-pyrimidine-2,4,6-trione
| Molecular Formula | C11H16N2O4 |
|---|---|
| Molecular Weight | 240.11 g/mol |
| LogP | 0.364 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.11101 |
| Heavy Atoms | 17 |
| Complexity | 368.93268 |
Chemical Identifiers
| CAS Number | 31555-99-4 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C(C)CC(=O)C |
Product Overview
Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)- (CAS 31555-99-4), with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol. IUPAC: 5-ethyl-5-(4-oxopentan-2-yl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-
Property Insights of Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-
The XLogP value of 0.364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-. The TPSA of 92.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)- 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-(1-methyl-3-oxobutyl)-?
The CAS number of Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)- is 31555-99-4.
What is the molecular formula of Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-?
The molecular formula of Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)- is C11H16N2O4.
What is the molecular weight of Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-?
The molecular weight of Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)- is 240.11 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-?
You can request a quote for Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)- 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-(1-methyl-3-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.