Trimethylcetylammonium pentachlorophenate
TL;DR: Trimethylcetylammonium pentachlorophenate (CAS 87-76-3) is a chemical compound with molecular formula C25H42Cl5NO and molecular weight 547.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl(trimethyl)azanium;2,3,4,5,6-pentachlorophenolate
Also Known As: Trimethylcetylammonium pentachlorophenate, cetrimonium pentachlorophenoxide, Cetrimonium pentachlorophenete, Hexadecyltrimethylammonium pentachlorophenol, CETRIMONIUM PENTACHLOROPHENATE
| Molecular Formula | C25H42Cl5NO |
|---|---|
| Molecular Weight | 547.17 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 23.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Exact Mass | 549.16797 |
| Heavy Atoms | 32 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 87-76-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-] |
| InChIKey | FDODMJVLXHAZON-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylcetylammonium pentachlorophenate (CAS 87-76-3), with molecular formula C25H42Cl5NO and molecular weight 547.17 g/mol. IUPAC: hexadecyl(trimethyl)azanium;2,3,4,5,6-pentachlorophenolate.
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
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 547.17 g/mol.
Where can I buy Trimethylcetylammonium pentachlorophenate?
You can request a quote for Trimethylcetylammonium pentachlorophenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylcetylammonium pentachlorophenate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylcetylammonium pentachlorophenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.