Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester)
TL;DR: Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester) (CAS 67465-57-0) is a chemical compound with molecular formula C9H12BrNO2 and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyridin-1-ium-3-yl)methyl acetate bromide
Also Known As: Ro 1-5240, 3-Hydroxymethyl-1-methylpyridinium bromide acetate (ester), Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester), (1-methylpyridin-1-ium-3-yl)methyl acetate bromide, Pyridinium, 3-[(acetyloxy)methyl]-1-methyl-, bromide
| Molecular Formula | C9H12BrNO2 |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | -2.4218 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.00514 |
| Heavy Atoms | 13 |
| Complexity | 288.69812 |
Chemical Identifiers
| CAS Number | 67465-57-0 |
|---|---|
| SMILES | CC(=O)OCC1=C[N+](=CC=C1)C.[Br-] |
Product Overview
Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester) (CAS 67465-57-0), with molecular formula C9H12BrNO2 and molecular weight 245.01 g/mol. IUPAC: (1-methylpyridin-1-ium-3-yl)methyl acetate bromide.
Chemical Property Profile of Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester)
Property Insights of Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester)
The XLogP value of -2.4218 indicates that Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester) 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, Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (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-hydroxymethyl-1-methyl-, bromide, acetate (ester)?
The CAS number of Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester) is 67465-57-0.
What is the molecular formula of Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester)?
The molecular formula of Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester) is C9H12BrNO2.
What is the molecular weight of Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester)?
The molecular weight of Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester) is 245.01 g/mol.
Where can I buy Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester)?
You can request a quote for Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (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-hydroxymethyl-1-methyl-, bromide, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-hydroxymethyl-1-methyl-, bromide, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.