2,4,6-Trichlorophenoxyacetic acid
TL;DR: 2,4,6-Trichlorophenoxyacetic acid (CAS 575-89-3) is a chemical compound with molecular formula C8H5Cl3O3 and molecular weight 253.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trichlorophenoxy)acetic acid
Also Known As: 2-(2,4,6-trichlorophenoxy)acetic acid, 2,4,6-TRICHLOROPHENOXYACETIC ACID, (2,4,6-Trichlorophenoxy)acetic acid, Prochloraz metabolite 3, Acetic acid, (2,4,6-trichlorophenoxy)-
| Molecular Formula | C8H5Cl3O3 |
|---|---|
| Molecular Weight | 253.93 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.93042 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 575-89-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)OCC(=O)O)Cl)Cl |
| InChIKey | KZDCLQBOHGBWOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trichlorophenoxyacetic acid (CAS 575-89-3), with molecular formula C8H5Cl3O3 and molecular weight 253.93 g/mol. IUPAC: 2-(2,4,6-trichlorophenoxy)acetic acid.
Chemical Property Profile of 2,4,6-Trichlorophenoxyacetic acid
Property Insights of 2,4,6-Trichlorophenoxyacetic acid
The XLogP value of 3.6 indicates that 2,4,6-Trichlorophenoxyacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2,4,6-Trichlorophenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trichlorophenoxyacetic acid has 1 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 2,4,6-Trichlorophenoxyacetic acid?
The CAS number of 2,4,6-Trichlorophenoxyacetic acid is 575-89-3.
What is the molecular formula of 2,4,6-Trichlorophenoxyacetic acid?
The molecular formula of 2,4,6-Trichlorophenoxyacetic acid is C8H5Cl3O3.
What is the molecular weight of 2,4,6-Trichlorophenoxyacetic acid?
The molecular weight of 2,4,6-Trichlorophenoxyacetic acid is 253.93 g/mol.
Where can I buy 2,4,6-Trichlorophenoxyacetic acid?
You can request a quote for 2,4,6-Trichlorophenoxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trichlorophenoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trichlorophenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.