2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile
TL;DR: 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile (CAS 42901-91-7) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-6-nitro-1-benzofuran-3-carbonitrile
Also Known As: 2-ethyl-6-nitro-1-benzofuran-3-carbonitrile
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 42901-91-7 |
|---|---|
| SMILES | CCC1=C(C2=C(O1)C=C(C=C2)[N+](=O)[O-])C#N |
| InChIKey | IFSDQBZOQTYYDL-UHFFFAOYSA-N |
Product Overview
2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile (CAS 42901-91-7), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: 2-ethyl-6-nitro-1-benzofuran-3-carbonitrile.
Chemical Property Profile of 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile
Property Insights of 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile. Following Lipinski's Rule of Five, 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile 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 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile?
The CAS number of 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile is 42901-91-7.
What is the molecular formula of 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile?
The molecular formula of 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile is C11H8N2O3.
What is the molecular weight of 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile?
The molecular weight of 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile is 216.05 g/mol.
Where can I buy 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile?
You can request a quote for 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.