3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide
TL;DR: 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide (CAS 19432-56-5) is a chemical compound with molecular formula C13H12BrN3O3 and molecular weight 337.01 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-3-carboxamide bromide
Also Known As: 3-carbamoyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide, 3-(aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide, 3-CARBAMOYL-1-(4-NITROBENZYL)PYRIDINIUM BROMIDE, 3-Carbamoyl-1-4-nitrobenzylpyridinium bromide, 1-[(4-nitrophenyl)methyl]pyridine-5-carboxamide Bromide
| Molecular Formula | C13H12BrN3O3 |
|---|---|
| Molecular Weight | 337.01 g/mol |
| LogP | -1.9665 |
| Topological Polar Surface Area | 90.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.0062 |
| Heavy Atoms | 20 |
| Complexity | 629.0134 |
Chemical Identifiers
| CAS Number | 19432-56-5 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N.[Br-] |
Product Overview
3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide (CAS 19432-56-5), with molecular formula C13H12BrN3O3 and molecular weight 337.01 g/mol. IUPAC: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxamide bromide.
Chemical Property Profile of 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide
Property Insights of 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide
The XLogP value of -1.9665 indicates that 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide. Following Lipinski's Rule of Five, 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide has 1 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 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide?
The CAS number of 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide is 19432-56-5.
What is the molecular formula of 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide?
The molecular formula of 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide is C13H12BrN3O3.
What is the molecular weight of 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide?
The molecular weight of 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide is 337.01 g/mol.
Where can I buy 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide?
You can request a quote for 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminocarbonyl)-1-(4-nitrobenzyl)pyridinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.