2,4,5-Trichloroanisole
TL;DR: 2,4,5-Trichloroanisole (CAS 6130-75-2) 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.
1,2,4-trichloro-5-methoxybenzene
Also Known As: 1,2,4-Trichloro-5-methoxybenzene, 2,4,5-TRICHLOROANISOLE, Anisole, 2,4,5-trichloro-, 2,5-Trichloroanisole, Benzene, 1,2,4-trichloro-5-methoxy-
| Molecular Formula | C7H5Cl3O |
|---|---|
| Molecular Weight | 209.94 g/mol |
| LogP | 4.2 |
| 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 | 6130-75-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | SXKBHOQOOGRFJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trichloroanisole (CAS 6130-75-2), with molecular formula C7H5Cl3O and molecular weight 209.94 g/mol. IUPAC: 1,2,4-trichloro-5-methoxybenzene.
Chemical Property Profile of 2,4,5-Trichloroanisole
Property Insights of 2,4,5-Trichloroanisole
The XLogP value of 4.2 indicates that 2,4,5-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, 2,4,5-Trichloroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-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 2,4,5-Trichloroanisole?
The CAS number of 2,4,5-Trichloroanisole is 6130-75-2.
What is the molecular formula of 2,4,5-Trichloroanisole?
The molecular formula of 2,4,5-Trichloroanisole is C7H5Cl3O.
What is the molecular weight of 2,4,5-Trichloroanisole?
The molecular weight of 2,4,5-Trichloroanisole is 209.94 g/mol.
Where can I buy 2,4,5-Trichloroanisole?
You can request a quote for 2,4,5-Trichloroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trichloroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichloroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.