2,4,6-Trichloro-3,5-dimethylphenol
TL;DR: 2,4,6-Trichloro-3,5-dimethylphenol (CAS 6972-47-0) is a chemical compound with molecular formula C8H7Cl3O and molecular weight 223.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trichloro-3,5-dimethylphenol
Also Known As: 2,4,6-Trichloro-3,5-dimethylphenol, Quillifoline, 3, 2,4,6-trichloro-, Phenol, 2,4,6-trichloro-3,5-dimethyl-, 3,5-Xylenol, 2,4,6-trichloro-
| Molecular Formula | C8H7Cl3O |
|---|---|
| Molecular Weight | 223.96 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.95625 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 6972-47-0 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Cl)O)Cl)C)Cl |
| InChIKey | ZNEWEUWJXXZLAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trichloro-3,5-dimethylphenol (CAS 6972-47-0), with molecular formula C8H7Cl3O and molecular weight 223.96 g/mol. IUPAC: 2,4,6-trichloro-3,5-dimethylphenol.
Chemical Property Profile of 2,4,6-Trichloro-3,5-dimethylphenol
Property Insights of 2,4,6-Trichloro-3,5-dimethylphenol
The XLogP value of 4.2 indicates that 2,4,6-Trichloro-3,5-dimethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4,6-Trichloro-3,5-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trichloro-3,5-dimethylphenol has 1 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 2,4,6-Trichloro-3,5-dimethylphenol?
The CAS number of 2,4,6-Trichloro-3,5-dimethylphenol is 6972-47-0.
What is the molecular formula of 2,4,6-Trichloro-3,5-dimethylphenol?
The molecular formula of 2,4,6-Trichloro-3,5-dimethylphenol is C8H7Cl3O.
What is the molecular weight of 2,4,6-Trichloro-3,5-dimethylphenol?
The molecular weight of 2,4,6-Trichloro-3,5-dimethylphenol is 223.96 g/mol.
Where can I buy 2,4,6-Trichloro-3,5-dimethylphenol?
You can request a quote for 2,4,6-Trichloro-3,5-dimethylphenol 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-Trichloro-3,5-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trichloro-3,5-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.