3-(5-Nitro-2-furanyl)-2-propenenitrile
TL;DR: 3-(5-Nitro-2-furanyl)-2-propenenitrile (CAS 18873-35-3) is a chemical compound with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
Also Known As: DITHIAZANINE, 3-(5-Nitro-2-furanyl)-2-propenenitrile, 3-(5-Nitro-2-furyl)acrylonitrile, 2-Propenenitrile, 3-(5-nitro-2-furanyl)-, 3-(5-nitrofuran-2-yl)prop-2-enenitrile
| Molecular Formula | C7H4N2O3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.72458 |
| Topological Polar Surface Area | 80.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.02219 |
| Heavy Atoms | 12 |
| Complexity | 358.97354 |
Chemical Identifiers
| CAS Number | 18873-35-3 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])/C=C/C#N |
Product Overview
3-(5-Nitro-2-furanyl)-2-propenenitrile (CAS 18873-35-3), with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol. IUPAC: (E)-3-(5-nitrofuran-2-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(5-Nitro-2-furanyl)-2-propenenitrile
Property Insights of 3-(5-Nitro-2-furanyl)-2-propenenitrile
The XLogP value of 1.72458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Nitro-2-furanyl)-2-propenenitrile. The TPSA of 80.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Nitro-2-furanyl)-2-propenenitrile. Following Lipinski's Rule of Five, 3-(5-Nitro-2-furanyl)-2-propenenitrile has 0 hydrogen bond donor(s) and 4 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 3-(5-Nitro-2-furanyl)-2-propenenitrile?
The CAS number of 3-(5-Nitro-2-furanyl)-2-propenenitrile is 18873-35-3.
What is the molecular formula of 3-(5-Nitro-2-furanyl)-2-propenenitrile?
The molecular formula of 3-(5-Nitro-2-furanyl)-2-propenenitrile is C7H4N2O3.
What is the molecular weight of 3-(5-Nitro-2-furanyl)-2-propenenitrile?
The molecular weight of 3-(5-Nitro-2-furanyl)-2-propenenitrile is 164.02 g/mol.
Where can I buy 3-(5-Nitro-2-furanyl)-2-propenenitrile?
You can request a quote for 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 3-(5-Nitro-2-furanyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Nitro-2-furanyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.