Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate
TL;DR: Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate (CAS 5420-89-3) is a chemical compound with molecular formula C14H22N2O5 and molecular weight 298.15 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 acetate
Also Known As: 4-25-00-00454 (Beilstein Handbook Reference), 5-(2-Hydroxypropyl)-5-(1-methylbutyl)barbituric acid 5-acetate, Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate, 1-[2,4,6-trioxo-5-(pentan-2-yl)hexahydropyrimidin-5-yl]propan-2-yl acetate, 1-(2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)propan-2-yl acetate
| Molecular Formula | C14H22N2O5 |
|---|---|
| Molecular Weight | 298.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.15286 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 5420-89-3 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC(C)OC(=O)C |
| InChIKey | WWEAFJWITUMUJE-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate (CAS 5420-89-3), with molecular formula C14H22N2O5 and molecular weight 298.15 g/mol. IUPAC: 1-(2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)propan-2-yl acetate.
Chemical Property Profile of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate
Property Insights of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate. Following Lipinski's Rule of Five, Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate 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 Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate?
The CAS number of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate is 5420-89-3.
What is the molecular formula of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate?
The molecular formula of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate is C14H22N2O5.
What is the molecular weight of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate?
The molecular weight of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate is 298.15 g/mol.
Where can I buy Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate?
You can request a quote for Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate 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-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.