3,4,5-Trichloroanisole
TL;DR: 3,4,5-Trichloroanisole (CAS 54135-82-9) 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-5-methoxybenzene
Also Known As: 3,4,5-Trichloroanisole, starbld0020627, Benzene, 1,2,3-trichloro-5-methoxy-, 1,2,3-TRICHLORO-5-METHOXYBENZENE, 1-Methoxy-3,4,5-trichlorobenzene
| 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 | 119.0 |
Chemical Identifiers
| CAS Number | 54135-82-9 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)Cl)Cl)Cl |
| InChIKey | GUCFBWGWRCILHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trichloroanisole (CAS 54135-82-9), with molecular formula C7H5Cl3O and molecular weight 209.94 g/mol. IUPAC: 1,2,3-trichloro-5-methoxybenzene.
Chemical Property Profile of 3,4,5-Trichloroanisole
Property Insights of 3,4,5-Trichloroanisole
The XLogP value of 4.0 indicates that 3,4,5-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, 3,4,5-Trichloroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-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 3,4,5-Trichloroanisole?
The CAS number of 3,4,5-Trichloroanisole is 54135-82-9.
What is the molecular formula of 3,4,5-Trichloroanisole?
The molecular formula of 3,4,5-Trichloroanisole is C7H5Cl3O.
What is the molecular weight of 3,4,5-Trichloroanisole?
The molecular weight of 3,4,5-Trichloroanisole is 209.94 g/mol.
Where can I buy 3,4,5-Trichloroanisole?
You can request a quote for 3,4,5-Trichloroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trichloroanisole?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trichloroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.