Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate
TL;DR: Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate (CAS 53404-89-0) is a chemical compound with molecular formula C28H46Cl3NO3 and molecular weight 549.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 2,4,5-T N,N-dimethyloleylamine salt
| Molecular Formula | C28H46Cl3NO3 |
|---|---|
| Molecular Weight | 549.25 g/mol |
| LogP | 6.94 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 549.25433 |
| Heavy Atoms | 35 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 53404-89-0 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC[NH+](C)C.C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-] |
| InChIKey | WHJZYOWIZRXWGC-UHFFFAOYSA-N |
Product Overview
Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate (CAS 53404-89-0), with molecular formula C28H46Cl3NO3 and molecular weight 549.25 g/mol. IUPAC: dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate
Property Insights of Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate
The XLogP value of 6.94 indicates that Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate?
The CAS number of Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate is 53404-89-0.
What is the molecular formula of Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate?
The molecular formula of Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate is C28H46Cl3NO3.
What is the molecular weight of Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate?
The molecular weight of Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate is 549.25 g/mol.
Where can I buy Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate?
You can request a quote for Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl(octadec-9-enyl)azanium;2-(2,4,5-trichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.