4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine
TL;DR: 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine (CAS 445464-18-6) is a chemical compound with molecular formula C13H7N3O5 and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,6-dinitro-1-benzofuran-2-yl)pyridine
Also Known As: 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine, Pyridine, 4-(4,6-dinitro-2-benzofuranyl)-, 4,6-dinitro-2-(4-pyridyl)benzo[b]furan, 4-(4,6-Dinitro-benzofuran-2-yl)-pyridine, 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine #
| Molecular Formula | C13H7N3O5 |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.03857 |
| Heavy Atoms | 21 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 445464-18-6 |
|---|---|
| SMILES | C1=CN=CC=C1C2=CC3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HXKTYYNVHUTEOL-UHFFFAOYSA-N |
Product Overview
4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine (CAS 445464-18-6), with molecular formula C13H7N3O5 and molecular weight 285.04 g/mol. IUPAC: 4-(4,6-dinitro-1-benzofuran-2-yl)pyridine.
Chemical Property Profile of 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine
Property Insights of 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine. Following Lipinski's Rule of Five, 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine has 0 hydrogen bond donor(s) and 6 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 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine?
The CAS number of 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine is 445464-18-6.
What is the molecular formula of 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine?
The molecular formula of 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine is C13H7N3O5.
What is the molecular weight of 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine?
The molecular weight of 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine is 285.04 g/mol.
Where can I buy 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine?
You can request a quote for 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,6-Dinitro-1-benzofuran-2-yl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.