3,5-Dimethyl-2,4,6-trichloroanisole
TL;DR: 3,5-Dimethyl-2,4,6-trichloroanisole (CAS 22921-84-2) is a chemical compound with molecular formula C9H9Cl3O and molecular weight 237.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene
Also Known As: 3,5-Dimethyl-2,4,6-trichloroanisole, 1,3,5-Trichloro-2-methoxy-4,6-dimethylbenzene, 1-Methoxy-3,5-dimethyl-2,4,6-trichlorobenzene, 1,3,5-Trichloro-2-methoxy-4,6-dimethylbenzene #
| Molecular Formula | C9H9Cl3O |
|---|---|
| Molecular Weight | 237.97 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.9719 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 22921-84-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Cl)OC)Cl)C)Cl |
| InChIKey | DMZXKTABWAXCIT-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-2,4,6-trichloroanisole (CAS 22921-84-2), with molecular formula C9H9Cl3O and molecular weight 237.97 g/mol. IUPAC: 1,3,5-trichloro-2-methoxy-4,6-dimethylbenzene.
Chemical Property Profile of 3,5-Dimethyl-2,4,6-trichloroanisole
Property Insights of 3,5-Dimethyl-2,4,6-trichloroanisole
The XLogP value of 4.5 indicates that 3,5-Dimethyl-2,4,6-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, 3,5-Dimethyl-2,4,6-trichloroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-2,4,6-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 3,5-Dimethyl-2,4,6-trichloroanisole?
The CAS number of 3,5-Dimethyl-2,4,6-trichloroanisole is 22921-84-2.
What is the molecular formula of 3,5-Dimethyl-2,4,6-trichloroanisole?
The molecular formula of 3,5-Dimethyl-2,4,6-trichloroanisole is C9H9Cl3O.
What is the molecular weight of 3,5-Dimethyl-2,4,6-trichloroanisole?
The molecular weight of 3,5-Dimethyl-2,4,6-trichloroanisole is 237.97 g/mol.
Where can I buy 3,5-Dimethyl-2,4,6-trichloroanisole?
You can request a quote for 3,5-Dimethyl-2,4,6-trichloroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-2,4,6-trichloroanisole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-2,4,6-trichloroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.