N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide
TL;DR: N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide (CAS 116477-68-0) is a chemical compound with molecular formula C21H16N6O4 and molecular weight 416.1233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-propan-2-yloxybenzamide
Also Known As: AE-641/40198049, N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-isopropoxybenzamide, N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-isopropoxy-5-nitrobenzamide, N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide, N-(3-Cyanobenzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)-2-isopropoxy-5-nitrobenzamide
Technical Specifications
| Molecular Formula | C21H16N6O4 |
| Molecular Weight | 416.1233 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.1233 Da |
| Heavy Atoms | 31 |
| Complexity | 733.0 |
| SMILES | CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N |
| InChIKey | ZSJAMKKWJPYYJE-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide
Property Insights of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide
The XLogP value of 4.6 indicates that N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide?
The CAS number of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide is 116477-68-0.
What is the molecular formula of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide?
The molecular formula of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide is C21H16N6O4.
What is the molecular weight of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide?
The molecular weight of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide is 416.1233 g/mol.
Where can I buy N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide?
You can request a quote for N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxy-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.