氯化醋甲胆碱
TL;DR: 氯化醋甲胆碱 (CAS 62-51-1) is a chemical compound with molecular formula C8H18ClNO2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化醋甲胆碱
2-acetyloxypropyl(trimethyl)azanium chloride
Also Known As: Methacholine chloride, Provocholine, Amechol, Acetyl-beta-methylcholine chloride, Mecholyl chloride
| Molecular Formula | C8H18ClNO2 |
|---|---|
| Molecular Weight | 195.10 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 | 195.1026 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
| Solubility | >29.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 62-51-1 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)OC(=O)C.[Cl-] |
| InChIKey | JHPHVAVFUYTVCL-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化醋甲胆碱 (CAS 62-51-1), with molecular formula C8H18ClNO2 and molecular weight 195.10 g/mol. IUPAC: 2-acetyloxypropyl(trimethyl)azanium chloride.
Chemical Property Profile of 氯化醋甲胆碱
Property Insights of 氯化醋甲胆碱
The XLogP value of -2.35 indicates that 氯化醋甲胆碱 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, 氯化醋甲胆碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化醋甲胆碱 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 氯化醋甲胆碱?
The CAS number of 氯化醋甲胆碱 is 62-51-1.
What is the molecular formula of 氯化醋甲胆碱?
The molecular formula of 氯化醋甲胆碱 is C8H18ClNO2.
What is the molecular weight of 氯化醋甲胆碱?
The molecular weight of 氯化醋甲胆碱 is 195.10 g/mol.
Where can I buy 氯化醋甲胆碱?
You can request a quote for 氯化醋甲胆碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化醋甲胆碱?
Yes, KEHONG BIO provides custom synthesis services for 氯化醋甲胆碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.