2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile (CAS 6448-59-5) 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.
2-(1H-benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
Also Known As: (2E)-2-(1H-Benzimidazol-2-yl)-3-(5-nitro-2-furyl)acrylonitrile, 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile, 2-(1H-benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
| Molecular Formula | C14H8N4O3 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.05963 |
| Heavy Atoms | 21 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 6448-59-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(O3)[N+](=O)[O-])C#N |
| InChIKey | LISLUXJODLGWGJ-UHFFFAOYSA-N |
Product Overview
2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile (CAS 6448-59-5), with molecular formula C14H8N4O3 and molecular weight 280.06 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile 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 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile is 6448-59-5.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile is C14H8N4O3.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile is 280.06 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.