Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester)
TL;DR: Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester) (CAS 67465-56-9) is a chemical compound with molecular formula C12H17BrN2O2 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyridin-1-ium-3-yl) piperidine-1-carboxylate bromide
Also Known As: Ro 1-5419, 3-Hydroxy-1-methylpyridinium bromide piperidinocarboxylate (ester), Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester), (1-methylpyridin-1-ium-3-yl) piperidine-1-carboxylate bromide, 1-Methyl-3-[(piperidine-1-carbonyl)oxy]pyridin-1-ium bromide
| Molecular Formula | C12H17BrN2O2 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | -1.5002 |
| Topological Polar Surface Area | 33.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.04733 |
| Heavy Atoms | 17 |
| Complexity | 378.52332 |
Chemical Identifiers
| CAS Number | 67465-56-9 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)OC(=O)N2CCCCC2.[Br-] |
Product Overview
Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester) (CAS 67465-56-9), with molecular formula C12H17BrN2O2 and molecular weight 300.05 g/mol. IUPAC: (1-methylpyridin-1-ium-3-yl) piperidine-1-carboxylate bromide.
Chemical Property Profile of Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester)
Property Insights of Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester)
The XLogP value of -1.5002 indicates that Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (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, piperidinocarboxylate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (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, piperidinocarboxylate (ester)?
The CAS number of Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester) is 67465-56-9.
What is the molecular formula of Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester)?
The molecular formula of Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester) is C12H17BrN2O2.
What is the molecular weight of Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester)?
The molecular weight of Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester) is 300.05 g/mol.
Where can I buy Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester)?
You can request a quote for Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (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, piperidinocarboxylate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-hydroxy-1-methyl-, bromide, piperidinocarboxylate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.