Butyrylthiocholine
TL;DR: Butyrylthiocholine (CAS 4555-00-4) is a chemical compound with molecular formula C9H20NOS+ and molecular weight 190.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butanoylsulfanylethyl(trimethyl)azanium
Also Known As: BUTYRYLTHIOCHOLINE, s-butyrylthiocholine, butanoylthiocholine, butyryl thiocholine, S-butanoylthiocholine
| Molecular Formula | C9H20NOS+ |
|---|---|
| Molecular Weight | 190.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.12656 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 4555-00-4 |
|---|---|
| SMILES | CCCC(=O)SCC[N+](C)(C)C |
| InChIKey | AWBGQVBMGBZGLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyrylthiocholine (CAS 4555-00-4), with molecular formula C9H20NOS+ and molecular weight 190.13 g/mol. IUPAC: 2-butanoylsulfanylethyl(trimethyl)azanium.
Chemical Property Profile of Butyrylthiocholine
Property Insights of Butyrylthiocholine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrylthiocholine. With a topological polar surface area (TPSA) of 42.4 Ų, Butyrylthiocholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrylthiocholine 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 Butyrylthiocholine?
The CAS number of Butyrylthiocholine is 4555-00-4.
What is the molecular formula of Butyrylthiocholine?
The molecular formula of Butyrylthiocholine is C9H20NOS+.
What is the molecular weight of Butyrylthiocholine?
The molecular weight of Butyrylthiocholine is 190.13 g/mol.
Where can I buy Butyrylthiocholine?
You can request a quote for Butyrylthiocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrylthiocholine?
Yes, KEHONG BIO provides custom synthesis services for Butyrylthiocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.