Methacholine bromide
TL;DR: Methacholine bromide (CAS 333-31-3) is a chemical compound with molecular formula C8H18BrNO2 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxypropyl(trimethyl)azanium bromide
Also Known As: Methacholine bromide, Mecholyl Bromide, MethacholineBromide, Methacholini bromidum, Methacholine (bromide)
| Molecular Formula | C8H18BrNO2 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | -2.35 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.0521 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 333-31-3 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)OC(=O)C.[Br-] |
| InChIKey | MMVPLEUBMWUYIB-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methacholine bromide (CAS 333-31-3), with molecular formula C8H18BrNO2 and molecular weight 239.05 g/mol. IUPAC: 2-acetyloxypropyl(trimethyl)azanium bromide.
Chemical Property Profile of Methacholine bromide
Property Insights of Methacholine bromide
The XLogP value of -2.35 indicates that Methacholine bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, Methacholine bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methacholine bromide has 0 hydrogen bond donor(s) and 3 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 Methacholine bromide?
The CAS number of Methacholine bromide is 333-31-3.
What is the molecular formula of Methacholine bromide?
The molecular formula of Methacholine bromide is C8H18BrNO2.
What is the molecular weight of Methacholine bromide?
The molecular weight of Methacholine bromide is 239.05 g/mol.
Where can I buy Methacholine bromide?
You can request a quote for Methacholine bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methacholine bromide?
Yes, KEHONG BIO provides custom synthesis services for Methacholine bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.