2,3,4-Trichloroanisole
TL;DR: 2,3,4-Trichloroanisole (CAS 54135-80-7) is a chemical compound with molecular formula C7H5Cl3O and molecular weight 209.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloro-4-methoxybenzene
Also Known As: 2,3,4-Trichloroanisole, 2,3,4-Trichloroanisol, 1,2,3-TRICHLORO-4-METHOXYBENZENE, 234-Trichloroanisole, Benzene, 1,2,3-trichloro-4-methoxy-
| Molecular Formula | C7H5Cl3O |
|---|---|
| Molecular Weight | 209.94 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.9406 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 54135-80-7 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)Cl)Cl)Cl |
| InChIKey | FRQUNVLMWIYOLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4-Trichloroanisole (CAS 54135-80-7), with molecular formula C7H5Cl3O and molecular weight 209.94 g/mol. IUPAC: 1,2,3-trichloro-4-methoxybenzene.
Chemical Property Profile of 2,3,4-Trichloroanisole
Property Insights of 2,3,4-Trichloroanisole
The XLogP value of 4.0 indicates that 2,3,4-Trichloroanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,3,4-Trichloroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trichloroanisole has 0 hydrogen bond donor(s) and 1 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 2,3,4-Trichloroanisole?
The CAS number of 2,3,4-Trichloroanisole is 54135-80-7.
What is the molecular formula of 2,3,4-Trichloroanisole?
The molecular formula of 2,3,4-Trichloroanisole is C7H5Cl3O.
What is the molecular weight of 2,3,4-Trichloroanisole?
The molecular weight of 2,3,4-Trichloroanisole is 209.94 g/mol.
Where can I buy 2,3,4-Trichloroanisole?
You can request a quote for 2,3,4-Trichloroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trichloroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trichloroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.