1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-
TL;DR: 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)- (CAS 727385-91-3) is a chemical compound with molecular formula C14H8N4O3 and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
Also Known As: alpha-((5-Nitro-2-furanyl)methylene)-1H-benzimidazole-2-acetonitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile, 2-(1H-benzimidazol-2-yl)-3-{5-nitro-2-furyl}acrylonitrile, 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-, AE-641/01696058
| Molecular Formula | C14H8N4O3 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 3.12828 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.05963 |
| Heavy Atoms | 21 |
| Complexity | 865.225 |
Chemical Identifiers
| CAS Number | 727385-91-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C#N |
Product Overview
1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)- (CAS 727385-91-3), with molecular formula C14H8N4O3 and molecular weight 280.06 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile.
Chemical Property Profile of 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-
Property Insights of 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-
The XLogP value of 3.12828 indicates that 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)- has 1 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 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-?
The CAS number of 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)- is 727385-91-3.
What is the molecular formula of 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-?
The molecular formula of 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)- is C14H8N4O3.
What is the molecular weight of 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-?
The molecular weight of 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)- is 280.06 g/mol.
Where can I buy 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-?
You can request a quote for 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-2-acetonitrile, alpha-((5-nitro-2-furanyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.