5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate
TL;DR: 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate (CAS 137858-17-4) is a chemical compound with molecular formula C19H19F4N5O4 and molecular weight 457.13733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-cyclopropyl-8-fluoro-7-piperazin-1-ylpyrimido[1,6-a]benzimidazole-1,3-dione;2,2,2-trifluoroacetic acid
Also Known As: 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate, Pyrimido(1,6-a)benzimidazole-1,3(2H,5H)-dione, 5-cyclopropyl-8-fluoro-7-(1-piperazinyl)-, mono(trifluoroacetate), 5-cyclopropyl-8-fluoro-7-(1-piperazinyl)-pyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione trifluoroacetate, 5-cyclopropyl-8-fluoro-7-piperazin-1-ylpyrimido[1,6-a]benzimidazole-1,3-dione; 2,2,2-trifluoroacetic acid, Acetic acid, 2,2,2-trifluoro-, compd.?with 5-cyclopropyl-8-fluoro-7-(1-piperazinyl)pyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione (1:1)
Technical Specifications
| Molecular Formula | C19H19F4N5O4 |
| Molecular Weight | 457.13733 g/mol |
| XLogP | 1.4594 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 457.13733 Da |
| Heavy Atoms | 32 |
| Complexity | 714.0 |
| SMILES | C1CC1N2C3=CC(=C(C=C3N4C2=CC(=O)NC4=O)F)N5CCNCC5.C(=O)(C(F)(F)F)O |
| InChIKey | NRYBOFCBJNYPSZ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate
Property Insights of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate
The XLogP value of 1.4594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate. Following Lipinski's Rule of Five, 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate?
The CAS number of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate is 137858-17-4.
What is the molecular formula of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate?
The molecular formula of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate is C19H19F4N5O4.
What is the molecular weight of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate?
The molecular weight of 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate is 457.13733 g/mol.
Where can I buy 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate?
You can request a quote for 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate?
Yes, CoreyChem provides custom synthesis services for 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.