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Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)
TL;DR: Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) (CAS 4329-73-1) is a chemical compound with molecular formula C12H11BrN2O2 and molecular weight 294.00 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 bromide
Also Known As: 1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide, 1-(4-NITROBENZYL)PYRIDINIUM BROMIDE, N-(p-nitrobenzyl)pyridinium bromide, 1-[(4-nitrophenyl)methyl]pyridine Bromide, 1-[(4-nitrophenyl)methyl]pyridin-1-ium,bromide
| Molecular Formula | C12H11BrN2O2 |
|---|---|
| Molecular Weight | 294.00 g/mol |
| LogP | -1.0654 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0004 |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 4329-73-1 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-] |
| InChIKey | BAHZTGRLJGIBKV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) (CAS 4329-73-1), with molecular formula C12H11BrN2O2 and molecular weight 294.00 g/mol. IUPAC: 1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide.
Chemical Property Profile of Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)
Property Insights of Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)
The XLogP value of -1.0654 indicates that Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.7 Ų, Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) 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 Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)?
The CAS number of Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) is 4329-73-1.
What is the molecular formula of Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)?
The molecular formula of Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) is C12H11BrN2O2.
What is the molecular weight of Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)?
The molecular weight of Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) is 294.00 g/mol.
Where can I buy Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)?
You can request a quote for Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-[(4-nitrophenyl)methyl]-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.