Stearyltrimethylammonium pentachlorophenate
TL;DR: Stearyltrimethylammonium pentachlorophenate (CAS 488-40-4) is a chemical compound with molecular formula C27H46Cl5NO and molecular weight 575.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentachlorophenolate;trimethyl(octadecyl)azanium
Also Known As: Hyamine 3258, Stearyltrimethylammonium pentachlorophenate, OCTADECYLTRIMETHYLAMMONIUM PENTACHLOROPHENATE, Trimethyloctadecylammonium pentachlorophenoxide, n,n,n-trimethyloctadecan-1-aminium pentachlorophenolate
| Molecular Formula | C27H46Cl5NO |
|---|---|
| Molecular Weight | 575.20 g/mol |
| LogP | 10.98 |
| Topological Polar Surface Area | 23.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 17 |
| Exact Mass | 577.1993 |
| Heavy Atoms | 34 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 488-40-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-] |
| InChIKey | WWFIOGVBRROSQM-UHFFFAOYSA-M |
Product Overview
Stearyltrimethylammonium pentachlorophenate (CAS 488-40-4), with molecular formula C27H46Cl5NO and molecular weight 575.20 g/mol. IUPAC: 2,3,4,5,6-pentachlorophenolate;trimethyl(octadecyl)azanium.
Chemical Property Profile of Stearyltrimethylammonium pentachlorophenate
Property Insights of Stearyltrimethylammonium pentachlorophenate
The XLogP value of 10.98 indicates that Stearyltrimethylammonium 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, Stearyltrimethylammonium pentachlorophenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stearyltrimethylammonium 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 Stearyltrimethylammonium pentachlorophenate?
The CAS number of Stearyltrimethylammonium pentachlorophenate is 488-40-4.
What is the molecular formula of Stearyltrimethylammonium pentachlorophenate?
The molecular formula of Stearyltrimethylammonium pentachlorophenate is C27H46Cl5NO.
What is the molecular weight of Stearyltrimethylammonium pentachlorophenate?
The molecular weight of Stearyltrimethylammonium pentachlorophenate is 575.20 g/mol.
Where can I buy Stearyltrimethylammonium pentachlorophenate?
You can request a quote for Stearyltrimethylammonium pentachlorophenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stearyltrimethylammonium pentachlorophenate?
Yes, KEHONG BIO provides custom synthesis services for Stearyltrimethylammonium pentachlorophenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.