Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate
TL;DR: Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate (CAS 73680-72-5) is a chemical compound with molecular formula C21H26Cl3NO3 and molecular weight 445.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl(triethyl)azanium;2-(2,4,5-trichlorophenoxy)acetate
Also Known As: Benzyltriethylammonium 2,4,5-trichlorophenoxyacetate, AMMONIUM, BENZYLTRIETHYL-, 2,4,5-TRICHLOROPHENOXYACETATE, Ammonium, (benzyltriethyl)-, 2,4,5-(trichlorophenoxy)acetate, Ammonium, 2,4,5-(trichlorophenoxy)acetate, Benzenemethanaminium, N,N,N-triethyl-, salt with (2,4,5-trichlorophenoxy)acetic acid (1:1)
| Molecular Formula | C21H26Cl3NO3 |
|---|---|
| Molecular Weight | 445.10 g/mol |
| LogP | 4.84 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.09784 |
| Heavy Atoms | 28 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 73680-72-5 |
|---|---|
| SMILES | CC[N+](CC)(CC)CC1=CC=CC=C1.C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-] |
| InChIKey | ZTSLIJUUEDHJDG-UHFFFAOYSA-M |
Product Overview
Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate (CAS 73680-72-5), with molecular formula C21H26Cl3NO3 and molecular weight 445.10 g/mol. IUPAC: benzyl(triethyl)azanium;2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate
Property Insights of Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate
The XLogP value of 4.84 indicates that Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate?
The CAS number of Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate is 73680-72-5.
What is the molecular formula of Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate?
The molecular formula of Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate is C21H26Cl3NO3.
What is the molecular weight of Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate?
The molecular weight of Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate is 445.10 g/mol.
Where can I buy Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate?
You can request a quote for Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.