Trimethylcetylammonium pentachlorophenate
TL;DR: Trimethylcetylammonium pentachlorophenate (CAS 87-76-3) is a chemical compound with molecular formula C25H42Cl5NO and molecular weight 547.1709 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexadecyl(trimethyl)azanium;2,3,4,5,6-pentachlorophenolate
Also Known As: Trimethylcetylammonium pentachlorophenate, cetrimonium pentachlorophenoxide, Cetrimonium pentachlorophenete, Hexadecyltrimethylammonium pentachlorophenol, CETRIMONIUM PENTACHLOROPHENATE
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H42Cl5NO |
| Molecular Weight | 547.1709 g/mol |
| XLogP | 10.2 |
| Topological Polar Surface Area (TPSA) | 23.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Exact Mass | 549.16797 Da |
| Heavy Atoms | 32 |
| Complexity | 331.0 |
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-] |
| InChIKey | FDODMJVLXHAZON-UHFFFAOYSA-M |
Product Description
Applications: Trimethylcetylammonium pentachlorophenate is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Trimethylcetylammonium pentachlorophenate (CAS 87-76-3) is a pharmaceutical intermediate with the molecular formula C25H42Cl5NO and a molecular weight of 547.17 g/mol. Synonyms include Trimethylcetylammonium pentachlorophenate and cetrimonium pentachlorophenoxide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Trimethylcetylammonium pentachlorophenate
Property Insights of Trimethylcetylammonium pentachlorophenate
The XLogP value of 10.2 indicates that Trimethylcetylammonium pentachlorophenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.1 Ų, Trimethylcetylammonium pentachlorophenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylcetylammonium pentachlorophenate has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Trimethylcetylammonium pentachlorophenate?
The CAS number of Trimethylcetylammonium pentachlorophenate is 87-76-3.
What is the molecular formula of Trimethylcetylammonium pentachlorophenate?
The molecular formula of Trimethylcetylammonium pentachlorophenate is C25H42Cl5NO.
What is the molecular weight of Trimethylcetylammonium pentachlorophenate?
The molecular weight of Trimethylcetylammonium pentachlorophenate is 547.1709 g/mol.
What are the applications of Trimethylcetylammonium pentachlorophenate?
Trimethylcetylammonium pentachlorophenate is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Trimethylcetylammonium pentachlorophenate?
You can request a quote for Trimethylcetylammonium pentachlorophenate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trimethylcetylammonium pentachlorophenate?
Yes, CoreyChem provides custom synthesis services for Trimethylcetylammonium pentachlorophenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.