N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide
TL;DR: N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide (CAS 116477-70-4) is a chemical compound with molecular formula C21H17N5O4 and molecular weight 403.12805 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)-3,4,5-trimethoxybenzamide
Also Known As: AE-641/10660043, N-(3-CYANOPYRIMIDO(1,2-A)BENZIMIDAZOL-2-YL)-3,4,5-TRIMETHOXYBENZAMIDE, N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4,5-trimethoxybenzamide, N-(3-Cyanobenzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)-3,4,5-trimethoxybenzamide, 663-540-1
Technical Specifications
| Molecular Formula | C21H17N5O4 |
| Molecular Weight | 403.12805 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.12805 Da |
| Heavy Atoms | 30 |
| Complexity | 655.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N |
| InChIKey | AQEKTALECSOUPJ-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide
Property Insights of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide
The XLogP value of 3.9 indicates that N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide 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)-3,4,5-trimethoxybenzamide?
The CAS number of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide is 116477-70-4.
What is the molecular formula of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide is C21H17N5O4.
What is the molecular weight of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide is 403.12805 g/mol.
Where can I buy N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide 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)-3,4,5-trimethoxybenzamide?
Yes, CoreyChem provides custom synthesis services for N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.