3-(Benzoyloxy)-1-methylpyridin-1-ium bromide
TL;DR: 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide (CAS 67465-51-4) is a chemical compound with molecular formula C13H12BrNO2 and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyridin-1-ium-3-yl) benzoate bromide
Also Known As: Ro 1-5238, 3-Hydroxy-1-methylpyridinium bromide benzoate (ester), (1-methylpyridin-1-ium-3-yl) benzoate bromide, 3-(BENZOYLOXY)-1-METHYLPYRIDIN-1-IUM BROMIDE, Pyridinium, 3-hydroxy-1-methyl-, bromide, benzoate (ester)
| Molecular Formula | C13H12BrNO2 |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | -1.2657 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.00513 |
| Heavy Atoms | 17 |
| Complexity | 499.78247 |
Chemical Identifiers
| CAS Number | 67465-51-4 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)OC(=O)C2=CC=CC=C2.[Br-] |
Product Overview
3-(Benzoyloxy)-1-methylpyridin-1-ium bromide (CAS 67465-51-4), with molecular formula C13H12BrNO2 and molecular weight 293.01 g/mol. IUPAC: (1-methylpyridin-1-ium-3-yl) benzoate bromide.
Chemical Property Profile of 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide
Property Insights of 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide
The XLogP value of -1.2657 indicates that 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.18 Ų, 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide 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 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide?
The CAS number of 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide is 67465-51-4.
What is the molecular formula of 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide?
The molecular formula of 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide is C13H12BrNO2.
What is the molecular weight of 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide?
The molecular weight of 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide is 293.01 g/mol.
Where can I buy 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide?
You can request a quote for 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzoyloxy)-1-methylpyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.