Barbituric acid, 5-(1-methylbutyl)-5-propyl-
TL;DR: Barbituric acid, 5-(1-methylbutyl)-5-propyl- (CAS 52944-67-9) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pentan-2-yl-5-propyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-methyl-1H-indazole, 5-(1-Methylbutyl)-5-propylbarbituric acid, BARBITURIC ACID, 5-(1-METHYLBUTYL)-5-PROPYL-, 5-pentan-2-yl-5-propyl-1,3-diazinane-2,4,6-trione, 5-24-09-00180 (Beilstein Handbook Reference)
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 52944-67-9 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)NC1=O)CCC |
| InChIKey | KUQQSUICJVLDOC-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(1-methylbutyl)-5-propyl- (CAS 52944-67-9), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: 5-pentan-2-yl-5-propyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-(1-methylbutyl)-5-propyl-
Property Insights of Barbituric acid, 5-(1-methylbutyl)-5-propyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(1-methylbutyl)-5-propyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(1-methylbutyl)-5-propyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(1-methylbutyl)-5-propyl- has 2 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-(1-methylbutyl)-5-propyl-?
The CAS number of Barbituric acid, 5-(1-methylbutyl)-5-propyl- is 52944-67-9.
What is the molecular formula of Barbituric acid, 5-(1-methylbutyl)-5-propyl-?
The molecular formula of Barbituric acid, 5-(1-methylbutyl)-5-propyl- is C12H20N2O3.
What is the molecular weight of Barbituric acid, 5-(1-methylbutyl)-5-propyl-?
The molecular weight of Barbituric acid, 5-(1-methylbutyl)-5-propyl- is 240.15 g/mol.
Where can I buy Barbituric acid, 5-(1-methylbutyl)-5-propyl-?
You can request a quote for Barbituric acid, 5-(1-methylbutyl)-5-propyl- 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-(1-methylbutyl)-5-propyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(1-methylbutyl)-5-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.