2-O-Isopropyl barbitone
TL;DR: 2-O-Isopropyl barbitone (CAS 85445-03-0) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5-diethyl-2-propan-2-yloxy-1H-pyrimidine-4,6-dione
Also Known As: Aspidospermidine, 2-O-Isopropyl barbitone, Dehydrotetrastachyne, 5,5-diethyl-2-(isopropyloxy)pyrimidine-4,6-dione, 5,5-Diethyl-2-isopropoxy-4,6(1H,5H)-pyrimidinedione
Technical Specifications
| Molecular Formula | C11H18N2O3 |
| Molecular Weight | 226.13174 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.13174 Da |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
| SMILES | CCC1(C(=O)NC(=NC1=O)OC(C)C)CC |
| InChIKey | GWBJKDRJBWUMFT-UHFFFAOYSA-N |
Chemical Property Profile of 2-O-Isopropyl barbitone
Property Insights of 2-O-Isopropyl barbitone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-O-Isopropyl barbitone. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-O-Isopropyl barbitone. Following Lipinski's Rule of Five, 2-O-Isopropyl barbitone 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
What is the CAS number of 2-O-Isopropyl barbitone?
The CAS number of 2-O-Isopropyl barbitone is 85445-03-0.
What is the molecular formula of 2-O-Isopropyl barbitone?
The molecular formula of 2-O-Isopropyl barbitone is C11H18N2O3.
What is the molecular weight of 2-O-Isopropyl barbitone?
The molecular weight of 2-O-Isopropyl barbitone is 226.13174 g/mol.
Where can I buy 2-O-Isopropyl barbitone?
You can request a quote for 2-O-Isopropyl barbitone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-O-Isopropyl barbitone?
Yes, CoreyChem provides custom synthesis services for 2-O-Isopropyl barbitone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.