Cetyltriethylammonium bromide
TL;DR: Cetyltriethylammonium bromide (CAS 13316-70-6) is a chemical compound with molecular formula C22H48BrN and molecular weight 405.297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl(hexadecyl)azanium bromide
Also Known As: Cetyltriethylammonium bromide, Triethylhexadecylammonium bromide, CDEA Br, Triethylpalmitylammonium bromide, Hexadecyltriethylammonium bromide
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H48BrN |
| Molecular Weight | 405.297 g/mol |
| XLogP | 4.35 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 18 |
| Exact Mass | 405.297 Da |
| Heavy Atoms | 24 |
| Complexity | 212.0 |
| SMILES | CCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-] |
| InChIKey | HNJXPTMEWIVQQM-UHFFFAOYSA-M |
Chemical Property Profile of Cetyltriethylammonium bromide
Property Insights of Cetyltriethylammonium bromide
The XLogP value of 4.35 indicates that Cetyltriethylammonium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Cetyltriethylammonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetyltriethylammonium bromide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cetyltriethylammonium bromide?
The CAS number of Cetyltriethylammonium bromide is 13316-70-6.
What is the molecular formula of Cetyltriethylammonium bromide?
The molecular formula of Cetyltriethylammonium bromide is C22H48BrN.
What is the molecular weight of Cetyltriethylammonium bromide?
The molecular weight of Cetyltriethylammonium bromide is 405.297 g/mol.
Where can I buy Cetyltriethylammonium bromide?
You can request a quote for Cetyltriethylammonium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cetyltriethylammonium bromide?
Yes, CoreyChem provides custom synthesis services for Cetyltriethylammonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.