Choline, methanesulfonate (ester)
TL;DR: Choline, methanesulfonate (ester) (CAS 3922-85-8) is a chemical compound with molecular formula C6H16NO3S+ and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl(2-methylsulfonyloxyethyl)azanium
Also Known As: Choline, methanesulfonate (ester), CHOLINE METHANESULFONATE, Methanesulfonic acid, ester with choline, trimethyl(2-methylsulfonyloxyethyl)azanium, N,N,N-Trimethyl-2-((methylsulfonyl)oxy)ethanaminium
| Molecular Formula | C6H16NO3S+ |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.08508 |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 3922-85-8 |
|---|---|
| SMILES | C[N+](C)(C)CCOS(=O)(=O)C |
| InChIKey | HRBHCOBUMWVPFC-UHFFFAOYSA-N |
Product Overview
Choline, methanesulfonate (ester) (CAS 3922-85-8), with molecular formula C6H16NO3S+ and molecular weight 182.09 g/mol. IUPAC: trimethyl(2-methylsulfonyloxyethyl)azanium.
Chemical Property Profile of Choline, methanesulfonate (ester)
Property Insights of Choline, methanesulfonate (ester)
The XLogP value of -0.3 indicates that Choline, methanesulfonate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.8 Ų, Choline, methanesulfonate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, methanesulfonate (ester) 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 Choline, methanesulfonate (ester)?
The CAS number of Choline, methanesulfonate (ester) is 3922-85-8.
What is the molecular formula of Choline, methanesulfonate (ester)?
The molecular formula of Choline, methanesulfonate (ester) is C6H16NO3S+.
What is the molecular weight of Choline, methanesulfonate (ester)?
The molecular weight of Choline, methanesulfonate (ester) is 182.09 g/mol.
Where can I buy Choline, methanesulfonate (ester)?
You can request a quote for Choline, methanesulfonate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, methanesulfonate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Choline, methanesulfonate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.