Ammonium 2,3,6-trichlorophenylacetate
TL;DR: Ammonium 2,3,6-trichlorophenylacetate (CAS 53404-90-3) is a chemical compound with molecular formula C8H8Cl3NO2 and molecular weight 254.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;2-(2,3,6-trichlorophenyl)acetic acid
Also Known As: Chlorfenac-ammonium, Ammonium chlorfenac, Caswell No. 882A, Ammonium 2,3,6-trichlorophenylacetate, EPA Pesticide Chemical Code 082606
| Molecular Formula | C8H8Cl3NO2 |
|---|---|
| Molecular Weight | 254.96 g/mol |
| LogP | 3.44 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.96207 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 53404-90-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)CC(=O)O)Cl)Cl.N |
| InChIKey | DZRJBVFMFCMALE-UHFFFAOYSA-N |
Product Overview
Ammonium 2,3,6-trichlorophenylacetate (CAS 53404-90-3), with molecular formula C8H8Cl3NO2 and molecular weight 254.96 g/mol. IUPAC: azane;2-(2,3,6-trichlorophenyl)acetic acid.
Chemical Property Profile of Ammonium 2,3,6-trichlorophenylacetate
Property Insights of Ammonium 2,3,6-trichlorophenylacetate
The XLogP value of 3.44 indicates that Ammonium 2,3,6-trichlorophenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium 2,3,6-trichlorophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium 2,3,6-trichlorophenylacetate has 2 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 2,3,6-trichlorophenylacetate?
The CAS number of Ammonium 2,3,6-trichlorophenylacetate is 53404-90-3.
What is the molecular formula of Ammonium 2,3,6-trichlorophenylacetate?
The molecular formula of Ammonium 2,3,6-trichlorophenylacetate is C8H8Cl3NO2.
What is the molecular weight of Ammonium 2,3,6-trichlorophenylacetate?
The molecular weight of Ammonium 2,3,6-trichlorophenylacetate is 254.96 g/mol.
Where can I buy Ammonium 2,3,6-trichlorophenylacetate?
You can request a quote for Ammonium 2,3,6-trichlorophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium 2,3,6-trichlorophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium 2,3,6-trichlorophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.