2-(Trimethylammonio)octadecanoate
TL;DR: 2-(Trimethylammonio)octadecanoate (CAS 96-56-0) is a chemical compound with molecular formula C21H43NO2 and molecular weight 341.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trimethylazaniumyl)octadecanoate
Also Known As: cetylbetaine, Hexadecylbetaine, Cetyl betaine, cetylbetain, 2-(Trimethylammonio)octadecanoate
| Molecular Formula | C21H43NO2 |
|---|---|
| Molecular Weight | 341.33 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 341.32938 |
| Heavy Atoms | 24 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 96-56-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C |
| InChIKey | LUWSJWIDHMACFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trimethylammonio)octadecanoate (CAS 96-56-0), with molecular formula C21H43NO2 and molecular weight 341.33 g/mol. IUPAC: 2-(trimethylazaniumyl)octadecanoate.
Chemical Property Profile of 2-(Trimethylammonio)octadecanoate
Property Insights of 2-(Trimethylammonio)octadecanoate
The XLogP value of 8.8 indicates that 2-(Trimethylammonio)octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 2-(Trimethylammonio)octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trimethylammonio)octadecanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Trimethylammonio)octadecanoate?
The CAS number of 2-(Trimethylammonio)octadecanoate is 96-56-0.
What is the molecular formula of 2-(Trimethylammonio)octadecanoate?
The molecular formula of 2-(Trimethylammonio)octadecanoate is C21H43NO2.
What is the molecular weight of 2-(Trimethylammonio)octadecanoate?
The molecular weight of 2-(Trimethylammonio)octadecanoate is 341.33 g/mol.
Where can I buy 2-(Trimethylammonio)octadecanoate?
You can request a quote for 2-(Trimethylammonio)octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trimethylammonio)octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trimethylammonio)octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.