alpha-Methylcholine
TL;DR: alpha-Methylcholine (CAS 21618-46-2) is a chemical compound with molecular formula C6H16NO+ and molecular weight 118.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxypropan-2-yl(trimethyl)azanium
Also Known As: alpha-Methylcholine, 1-hydroxypropan-2-yl(trimethyl)azanium, 2-Propanaminium, 1-hydroxy-N,N,N-trimethyl-, 1-Hydroxy-N,N,N-trimethylpropan-2-aminium, (1-Methyl-2-hydroxyethyl)trimethylaminium
| Molecular Formula | C6H16NO+ |
|---|---|
| Molecular Weight | 118.12 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.12319 |
| Heavy Atoms | 8 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 21618-46-2 |
|---|---|
| SMILES | CC(CO)[N+](C)(C)C |
| InChIKey | CQAUBRYQGMZJLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Methylcholine (CAS 21618-46-2), with molecular formula C6H16NO+ and molecular weight 118.12 g/mol. IUPAC: 1-hydroxypropan-2-yl(trimethyl)azanium.
Chemical Property Profile of alpha-Methylcholine
Property Insights of alpha-Methylcholine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methylcholine. With a topological polar surface area (TPSA) of 20.2 Ų, alpha-Methylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methylcholine has 1 hydrogen bond donor(s) and 1 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 alpha-Methylcholine?
The CAS number of alpha-Methylcholine is 21618-46-2.
What is the molecular formula of alpha-Methylcholine?
The molecular formula of alpha-Methylcholine is C6H16NO+.
What is the molecular weight of alpha-Methylcholine?
The molecular weight of alpha-Methylcholine is 118.12 g/mol.
Where can I buy alpha-Methylcholine?
You can request a quote for alpha-Methylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methylcholine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.