4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate
TL;DR: 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate (CAS 252280-66-3) is a chemical compound with molecular formula C13H10BF4N3O2 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate
Also Known As: 4-cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate, 4-cyano-1-[(4-nitrophenyl)methyl]pyridin-1-ium tetrafluoroborate, 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate, 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carbonitrile;tetrafluoroborate, IUPAC: 1-[(4-nitrophenyl)methyl]pyridine-4-carbonitrile; Tetrafluoroboron
| Molecular Formula | C13H10BF4N3O2 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 3.10228 |
| Topological Polar Surface Area | 70.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.08023 |
| Heavy Atoms | 23 |
| Complexity | 691.14496 |
Chemical Identifiers
| CAS Number | 252280-66-3 |
|---|---|
| SMILES | [B-](F)(F)(F)F.C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate (CAS 252280-66-3), with molecular formula C13H10BF4N3O2 and molecular weight 327.08 g/mol. IUPAC: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate.
Chemical Property Profile of 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate
Property Insights of 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate
The XLogP value of 3.10228 indicates that 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate. Following Lipinski's Rule of Five, 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate has 0 hydrogen bond donor(s) and 3 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-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
The CAS number of 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate is 252280-66-3.
What is the molecular formula of 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
The molecular formula of 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate is C13H10BF4N3O2.
What is the molecular weight of 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
The molecular weight of 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate is 327.08 g/mol.
Where can I buy 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
You can request a quote for 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-1-(4-nitrobenzyl)pyridinium tetrafluoroborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.