Acetyl-beta-methylthiocholine
TL;DR: Acetyl-beta-methylthiocholine (CAS 24857-13-4) is a chemical compound with molecular formula C8H18NOS+ and molecular weight 176.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylsulfanylpropyl(trimethyl)azanium
Also Known As: acetyl-beta-methylthiocholine, acetyl-b-methylthiocholine, S-acetyl-beta-methylthiocholine, 2-acetylsulfanylpropyl(trimethyl)azanium, [2-(Acetylthio)propyl]trimethylaminium
| Molecular Formula | C8H18NOS+ |
|---|---|
| Molecular Weight | 176.11 g/mol |
| LogP | 1.3608 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.11092 |
| Heavy Atoms | 11 |
| Complexity | 139.51772 |
Chemical Identifiers
| CAS Number | 24857-13-4 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)SC(=O)C |
Product Overview
Acetyl-beta-methylthiocholine (CAS 24857-13-4), with molecular formula C8H18NOS+ and molecular weight 176.11 g/mol. IUPAC: 2-acetylsulfanylpropyl(trimethyl)azanium.
Chemical Property Profile of Acetyl-beta-methylthiocholine
Property Insights of Acetyl-beta-methylthiocholine
The XLogP value of 1.3608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl-beta-methylthiocholine. With a topological polar surface area (TPSA) of 17.07 Ų, Acetyl-beta-methylthiocholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl-beta-methylthiocholine 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 Acetyl-beta-methylthiocholine?
The CAS number of Acetyl-beta-methylthiocholine is 24857-13-4.
What is the molecular formula of Acetyl-beta-methylthiocholine?
The molecular formula of Acetyl-beta-methylthiocholine is C8H18NOS+.
What is the molecular weight of Acetyl-beta-methylthiocholine?
The molecular weight of Acetyl-beta-methylthiocholine is 176.11 g/mol.
Where can I buy Acetyl-beta-methylthiocholine?
You can request a quote for Acetyl-beta-methylthiocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-beta-methylthiocholine?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-beta-methylthiocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.