S-Butyrylthiocholine chloride
TL;DR: S-Butyrylthiocholine chloride (CAS 22026-63-7) is a chemical compound with molecular formula C9H20ClNOS and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butanoylsulfanylethyl(trimethyl)azanium chloride
Also Known As: S-Butyrylthiocholine chloride, butyrylthiocholine chloride, S-Butyrylthiocholine (chloride), S-BUTYRYLTHIOCHOLINECHLORIDE, EINECS 244-731-5
| Molecular Formula | C9H20ClNOS |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | -1.2435 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.09541 |
| Heavy Atoms | 13 |
| Complexity | 145.04036 |
Chemical Identifiers
| CAS Number | 22026-63-7 |
|---|---|
| SMILES | CCCC(=O)SCC[N+](C)(C)C.[Cl-] |
Product Overview
S-Butyrylthiocholine chloride (CAS 22026-63-7), with molecular formula C9H20ClNOS and molecular weight 225.10 g/mol. IUPAC: 2-butanoylsulfanylethyl(trimethyl)azanium chloride.
Chemical Property Profile of S-Butyrylthiocholine chloride
Property Insights of S-Butyrylthiocholine chloride
The XLogP value of -1.2435 indicates that S-Butyrylthiocholine chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.07 Ų, S-Butyrylthiocholine chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Butyrylthiocholine chloride 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 S-Butyrylthiocholine chloride?
The CAS number of S-Butyrylthiocholine chloride is 22026-63-7.
What is the molecular formula of S-Butyrylthiocholine chloride?
The molecular formula of S-Butyrylthiocholine chloride is C9H20ClNOS.
What is the molecular weight of S-Butyrylthiocholine chloride?
The molecular weight of S-Butyrylthiocholine chloride is 225.10 g/mol.
Where can I buy S-Butyrylthiocholine chloride?
You can request a quote for S-Butyrylthiocholine chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Butyrylthiocholine chloride?
Yes, KEHONG BIO provides custom synthesis services for S-Butyrylthiocholine chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.