cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile
TL;DR: cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile (CAS 40954-70-9) is a chemical compound with molecular formula C11H6N2O4 and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
Also Known As: cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile, (Z)-alpha-((5-Nitro-2-furanyl)methylene)-2-furanacetonitrile, (E)-2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)acrylonitrile, 2-FURANACETONITRILE, alpha-((5-NITRO-2-FURANYL)METHYLENE)-, (Z)-, trans-3-(5-nitro-2-furyl)-2-(2-furyl)-acrylonitrile
| Molecular Formula | C11H6N2O4 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 2.84498 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.03276 |
| Heavy Atoms | 17 |
| Complexity | 601.705 |
Chemical Identifiers
| CAS Number | 40954-70-9 |
|---|---|
| SMILES | C1=COC(=C1)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C#N |
Product Overview
cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile (CAS 40954-70-9), with molecular formula C11H6N2O4 and molecular weight 230.03 g/mol. IUPAC: (E)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile.
Chemical Property Profile of cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile
Property Insights of cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile
The XLogP value of 2.84498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile. The TPSA of 93.21 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile. Following Lipinski's Rule of Five, cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile has 0 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 cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile?
The CAS number of cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile is 40954-70-9.
What is the molecular formula of cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile?
The molecular formula of cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile is C11H6N2O4.
What is the molecular weight of cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile?
The molecular weight of cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile is 230.03 g/mol.
Where can I buy cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile?
You can request a quote for cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for cis-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.