5-(2-Nitrophenyl)-2-furonitrile
TL;DR: 5-(2-Nitrophenyl)-2-furonitrile (CAS 58138-74-2) is a chemical compound with molecular formula C11H6N2O3 and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-nitrophenyl)furan-2-carbonitrile
Also Known As: 5-(2-Nitrophenyl)-2-furonitrile, 5-(2-nitrophenyl)furan-2-carbonitrile, 5- -2-FURONITRILE97, 5-(2-Nitro-phenyl)-furan-2-carbonitrile, 5-(2-NITROPHENYL)-2-FURONITRILE 97
| Molecular Formula | C11H6N2O3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.03784 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 58138-74-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)C#N)[N+](=O)[O-] |
| InChIKey | CMKOTLZKPXMTBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-Nitrophenyl)-2-furonitrile (CAS 58138-74-2), with molecular formula C11H6N2O3 and molecular weight 214.04 g/mol. IUPAC: 5-(2-nitrophenyl)furan-2-carbonitrile.
Chemical Property Profile of 5-(2-Nitrophenyl)-2-furonitrile
Property Insights of 5-(2-Nitrophenyl)-2-furonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Nitrophenyl)-2-furonitrile. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Nitrophenyl)-2-furonitrile. Following Lipinski's Rule of Five, 5-(2-Nitrophenyl)-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-(2-Nitrophenyl)-2-furonitrile?
The CAS number of 5-(2-Nitrophenyl)-2-furonitrile is 58138-74-2.
What is the molecular formula of 5-(2-Nitrophenyl)-2-furonitrile?
The molecular formula of 5-(2-Nitrophenyl)-2-furonitrile is C11H6N2O3.
What is the molecular weight of 5-(2-Nitrophenyl)-2-furonitrile?
The molecular weight of 5-(2-Nitrophenyl)-2-furonitrile is 214.04 g/mol.
Where can I buy 5-(2-Nitrophenyl)-2-furonitrile?
You can request a quote for 5-(2-Nitrophenyl)-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-(2-Nitrophenyl)-2-furonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Nitrophenyl)-2-furonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.