3-(Trimethylammonio)propane-1-sulfonate
TL;DR: 3-(Trimethylammonio)propane-1-sulfonate (CAS 21865-17-8) is a chemical compound with molecular formula C6H15NO3S and molecular weight 181.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(trimethylazaniumyl)propane-1-sulfonate
Also Known As: Cholinesulfonate, 3-(trimethylazaniumyl)propane-1-sulfonate, propyl)-,hydroxide,inner salt, 3-(trimethylammonio)propane-1-sulfonate, Ammonium, hydroxide, inner salt
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H15NO3S |
| Molecular Weight | 181.07727 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.07727 Da |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
| SMILES | C[N+](C)(C)CCCS(=O)(=O)[O-] |
| InChIKey | WFJHXXPYPMNRPK-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Trimethylammonio)propane-1-sulfonate
Property Insights of 3-(Trimethylammonio)propane-1-sulfonate
The XLogP value of -0.6 indicates that 3-(Trimethylammonio)propane-1-sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Trimethylammonio)propane-1-sulfonate. Following Lipinski's Rule of Five, 3-(Trimethylammonio)propane-1-sulfonate 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
What is the CAS number of 3-(Trimethylammonio)propane-1-sulfonate?
The CAS number of 3-(Trimethylammonio)propane-1-sulfonate is 21865-17-8.
What is the molecular formula of 3-(Trimethylammonio)propane-1-sulfonate?
The molecular formula of 3-(Trimethylammonio)propane-1-sulfonate is C6H15NO3S.
What is the molecular weight of 3-(Trimethylammonio)propane-1-sulfonate?
The molecular weight of 3-(Trimethylammonio)propane-1-sulfonate is 181.07727 g/mol.
Where can I buy 3-(Trimethylammonio)propane-1-sulfonate?
You can request a quote for 3-(Trimethylammonio)propane-1-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Trimethylammonio)propane-1-sulfonate?
Yes, CoreyChem provides custom synthesis services for 3-(Trimethylammonio)propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.