5-Nitro-2-furonitrile
TL;DR: 5-Nitro-2-furonitrile (CAS 59-82-5) is a chemical compound with molecular formula C5H2N2O3 and molecular weight 138.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrofuran-2-carbonitrile
Also Known As: 5-nitro-2-furonitrile, 5-nitrofuran-2-carbonitrile, 5-Nitro-2-furancarbonitrile, 5-nitro-2-furyl cyanide, 2-Furancarbonitrile, 5-nitro-
| Molecular Formula | C5H2N2O3 |
|---|---|
| Molecular Weight | 138.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.00655 |
| Heavy Atoms | 10 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 59-82-5 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C#N |
| InChIKey | DUJNJLFQOODDNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2-furonitrile (CAS 59-82-5), with molecular formula C5H2N2O3 and molecular weight 138.01 g/mol. IUPAC: 5-nitrofuran-2-carbonitrile.
Chemical Property Profile of 5-Nitro-2-furonitrile
Property Insights of 5-Nitro-2-furonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-furonitrile. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-furonitrile. Following Lipinski's Rule of Five, 5-Nitro-2-furonitrile 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 5-Nitro-2-furonitrile?
The CAS number of 5-Nitro-2-furonitrile is 59-82-5.
What is the molecular formula of 5-Nitro-2-furonitrile?
The molecular formula of 5-Nitro-2-furonitrile is C5H2N2O3.
What is the molecular weight of 5-Nitro-2-furonitrile?
The molecular weight of 5-Nitro-2-furonitrile is 138.01 g/mol.
Where can I buy 5-Nitro-2-furonitrile?
You can request a quote for 5-Nitro-2-furonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-furonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-furonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.