4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate
TL;DR: 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate (CAS 828940-77-8) is a chemical compound with molecular formula C14H13BF4N2O4 and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate tetrafluoroborate
Also Known As: 4-(methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate, 4-(methoxycarbonyl)-1-[(4-nitrophenyl)methyl]pyridin-1-ium tetrafluoroborate, IUPAC: Methyl 1-[(4-nitrophenyl)methyl]pyridine-4-carboxylate; Tetrafluoroboron, methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate tetrafluoroborate, methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate;tetrafluoroborate
| Molecular Formula | C14H13BF4N2O4 |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 3.0172 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.09045 |
| Heavy Atoms | 25 |
| Complexity | 715.10675 |
Chemical Identifiers
| CAS Number | 828940-77-8 |
|---|---|
| SMILES | [B-](F)(F)(F)F.COC(=O)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate (CAS 828940-77-8), with molecular formula C14H13BF4N2O4 and molecular weight 360.09 g/mol. IUPAC: methyl 1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxylate tetrafluoroborate.
Chemical Property Profile of 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate
Property Insights of 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate
The XLogP value of 3.0172 indicates that 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate. Following Lipinski's Rule of Five, 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate 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 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
The CAS number of 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate is 828940-77-8.
What is the molecular formula of 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
The molecular formula of 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate is C14H13BF4N2O4.
What is the molecular weight of 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
The molecular weight of 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate is 360.09 g/mol.
Where can I buy 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
You can request a quote for 4-(Methoxycarbonyl)-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-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxycarbonyl)-1-(4-nitrobenzyl)pyridinium tetrafluoroborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.