Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester)
TL;DR: Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) (CAS 67465-54-7) is a chemical compound with molecular formula C11H17BrN2O2 and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyridin-1-ium-3-yl) N,N-diethylcarbamate bromide
Also Known As: Celiprolol Impurity 10, Ro 1-5417, 3-Hydroxy-1-methylpyridinium bromide diethylcarbamate (ester), Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester), (1-methylpyridin-1-ium-3-yl) N,N-diethylcarbamate bromide
| Molecular Formula | C11H17BrN2O2 |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | -1.6443 |
| Topological Polar Surface Area | 33.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.04733 |
| Heavy Atoms | 16 |
| Complexity | 340.51138 |
Chemical Identifiers
| CAS Number | 67465-54-7 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=C[N+](=CC=C1)C.[Br-] |
Product Overview
Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) (CAS 67465-54-7), with molecular formula C11H17BrN2O2 and molecular weight 288.05 g/mol. IUPAC: (1-methylpyridin-1-ium-3-yl) N,N-diethylcarbamate bromide.
Chemical Property Profile of Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester)
Property Insights of Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester)
The XLogP value of -1.6443 indicates that Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) 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, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) 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, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester)?
The CAS number of Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) is 67465-54-7.
What is the molecular formula of Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester)?
The molecular formula of Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) is C11H17BrN2O2.
What is the molecular weight of Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester)?
The molecular weight of Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) is 288.05 g/mol.
Where can I buy Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester)?
You can request a quote for Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) 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-methyl-, bromide, diethylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-hydroxy-1-methyl-, bromide, diethylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.