碘化丁酰硫代胆碱
TL;DR: 碘化丁酰硫代胆碱 (CAS 1866-16-6) is a chemical compound with molecular formula C9H20INOS and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘化丁酰硫代胆碱
2-butanoylsulfanylethyl(trimethyl)azanium iodide
Also Known As: s-Butyrylthiocholine iodide, Butyrylthiocholine iodide, s-n-Butyrylthiocholine iodide, a-Bromo-a-phenylacetone, 2-(butyrylthio)-n,n,n-trimethylethanaminium iodide
| Molecular Formula | C9H20INOS |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | -1.24 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.03104 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 1866-16-6 |
|---|---|
| SMILES | CCCC(=O)SCC[N+](C)(C)C.[I-] |
| InChIKey | WEQAAFZDJROSBF-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘化丁酰硫代胆碱 (CAS 1866-16-6), with molecular formula C9H20INOS and molecular weight 317.03 g/mol. IUPAC: 2-butanoylsulfanylethyl(trimethyl)azanium iodide.
Chemical Property Profile of 碘化丁酰硫代胆碱
Property Insights of 碘化丁酰硫代胆碱
The XLogP value of -1.24 indicates that 碘化丁酰硫代胆碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.4 Ų, 碘化丁酰硫代胆碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碘化丁酰硫代胆碱 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 碘化丁酰硫代胆碱?
The CAS number of 碘化丁酰硫代胆碱 is 1866-16-6.
What is the molecular formula of 碘化丁酰硫代胆碱?
The molecular formula of 碘化丁酰硫代胆碱 is C9H20INOS.
What is the molecular weight of 碘化丁酰硫代胆碱?
The molecular weight of 碘化丁酰硫代胆碱 is 317.03 g/mol.
Where can I buy 碘化丁酰硫代胆碱?
You can request a quote for 碘化丁酰硫代胆碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘化丁酰硫代胆碱?
Yes, KEHONG BIO provides custom synthesis services for 碘化丁酰硫代胆碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.