2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
TL;DR: 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile (CAS 40954-68-5) 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.
2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
Also Known As: (E)-alpha-((5-Nitro-2-furanyl)methylene)-2-furanacetonitrile, trans-3-(5-Nitro-2-furyl)-2-(2-furyl)acrylonitrile, 2-FURANACETONITRILE, alpha-((5-NITRO-2-FURANYL)METHYLENE)-, (E)-
| Molecular Formula | C11H6N2O4 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.03276 |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 40954-68-5 |
|---|---|
| SMILES | C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C#N |
| InChIKey | PACITJPDWOXPSA-UHFFFAOYSA-N |
Product Overview
2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile (CAS 40954-68-5), with molecular formula C11H6N2O4 and molecular weight 230.03 g/mol. IUPAC: 2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile.
Chemical Property Profile of 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
Property Insights of 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile 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 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile?
The CAS number of 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile is 40954-68-5.
What is the molecular formula of 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile?
The molecular formula of 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile is C11H6N2O4.
What is the molecular weight of 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile?
The molecular weight of 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile is 230.03 g/mol.
Where can I buy 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile?
You can request a quote for 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.