5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid
TL;DR: 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid (CAS 55668-46-7) is a chemical compound with molecular formula C16H26N2O5 and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)propan-2-yl butanoate
Also Known As: KST-1B5551, 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid, 5-25-03-00288 (Beilstein Handbook Reference), 1-[2,4,6-trioxo-5-(pentan-2-yl)hexahydropyrimidin-5-yl]propan-2-yl butanoate, Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-(1-methylbutyl)barbituric acid
| Molecular Formula | C16H26N2O5 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.18417 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 55668-46-7 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC(C)OC(=O)CCC |
| InChIKey | OHVQIMOCFGIEID-UHFFFAOYSA-N |
Product Overview
5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid (CAS 55668-46-7), with molecular formula C16H26N2O5 and molecular weight 326.18 g/mol. IUPAC: 1-(2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)propan-2-yl butanoate.
Chemical Property Profile of 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid
Property Insights of 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid. Following Lipinski's Rule of Five, 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid has 2 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 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid?
The CAS number of 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid is 55668-46-7.
What is the molecular formula of 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid?
The molecular formula of 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid is C16H26N2O5.
What is the molecular weight of 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid?
The molecular weight of 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid is 326.18 g/mol.
Where can I buy 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid?
You can request a quote for 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Butyroxypropyl)-5-(1-methylbutyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.