Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate
TL;DR: Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate (CAS 69440-46-6) is a chemical compound with molecular formula C15H16BrN3O4 and molecular weight 381.03 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-yl] N,N-dimethylcarbamate bromide
Also Known As: Pyridinium, 3-dimethylcarbamoyloxy-1-(p-nitrobenzyl)-, bromide, 3-Dimethylcarbamoyloxy-1-(p-nitrobenzyl)pyridinium bromide, Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate, 3-[(Dimethylcarbamoyl)oxy]-1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide, [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide
| Molecular Formula | C15H16BrN3O4 |
|---|---|
| Molecular Weight | 381.03 g/mol |
| LogP | -1.005 |
| Topological Polar Surface Area | 76.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.0324 |
| Heavy Atoms | 23 |
| Complexity | 689.3763 |
Chemical Identifiers
| CAS Number | 69440-46-6 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C[N+](=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-] |
Product Overview
Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate (CAS 69440-46-6), with molecular formula C15H16BrN3O4 and molecular weight 381.03 g/mol. IUPAC: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide.
Chemical Property Profile of Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate
Property Insights of Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate
The XLogP value of -1.005 indicates that Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate. Following Lipinski's Rule of Five, Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate 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 Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate?
The CAS number of Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate is 69440-46-6.
What is the molecular formula of Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate?
The molecular formula of Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate is C15H16BrN3O4.
What is the molecular weight of Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate?
The molecular weight of Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate is 381.03 g/mol.
Where can I buy Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate?
You can request a quote for Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-hydroxy-1-(p-nitrobenzyl)-, bromide, dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.