Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate
TL;DR: Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate (CAS 69440-39-7) is a chemical compound with molecular formula C17H21BrN2O2 and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzylpyridin-1-ium-3-yl) N,N-diethylcarbamate bromide
Also Known As: 1-Benzyl-3-diethylcarbamoyloxypyridinium bromide, Pyridinium, 1-benzyl-3-diethylcarbamoyloxy-, bromide, Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate, (1-benzylpyridin-1-ium-3-yl) N,N-diethylcarbamate bromide, 1-BENZYL-3-[(DIETHYLCARBAMOYL)OXY]PYRIDIN-1-IUM BROMIDE
| Molecular Formula | C17H21BrN2O2 |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | -0.133 |
| Topological Polar Surface Area | 33.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.07864 |
| Heavy Atoms | 22 |
| Complexity | 586.22266 |
Chemical Identifiers
| CAS Number | 69440-39-7 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-] |
Product Overview
Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate (CAS 69440-39-7), with molecular formula C17H21BrN2O2 and molecular weight 364.08 g/mol. IUPAC: (1-benzylpyridin-1-ium-3-yl) N,N-diethylcarbamate bromide.
Chemical Property Profile of Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate
Property Insights of Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate
The XLogP value of -0.133 indicates that Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.42 Ų, Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate has 0 hydrogen bond donor(s) and 2 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-benzyl-3-hydroxy-, bromide, diethylcarbamate?
The CAS number of Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate is 69440-39-7.
What is the molecular formula of Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate?
The molecular formula of Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate is C17H21BrN2O2.
What is the molecular weight of Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate?
The molecular weight of Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate is 364.08 g/mol.
Where can I buy Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate?
You can request a quote for Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-benzyl-3-hydroxy-, bromide, diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.