3,4,6-Trichloroguaiacol
TL;DR: 3,4,6-Trichloroguaiacol (CAS 60712-44-9) is a chemical compound with molecular formula C7H5Cl3O2 and molecular weight 225.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-trichloro-2-methoxyphenol
Also Known As: Trichloroguaiacol, 3,4,6-Trichloroguaiacol, 3,4,6-TRICHLORO-2-METHOXYPHENOL, Phenol, trichloro-2-methoxy-, 3,4,6-Tcg
| Molecular Formula | C7H5Cl3O2 |
|---|---|
| Molecular Weight | 225.94 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.93552 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 60712-44-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1Cl)Cl)Cl)O |
| InChIKey | HYCQPRXDNCTPOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,6-Trichloroguaiacol (CAS 60712-44-9), with molecular formula C7H5Cl3O2 and molecular weight 225.94 g/mol. IUPAC: 3,4,6-trichloro-2-methoxyphenol.
Chemical Property Profile of 3,4,6-Trichloroguaiacol
Property Insights of 3,4,6-Trichloroguaiacol
The XLogP value of 3.8 indicates that 3,4,6-Trichloroguaiacol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3,4,6-Trichloroguaiacol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,6-Trichloroguaiacol has 1 hydrogen bond donor(s) and 2 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 3,4,6-Trichloroguaiacol?
The CAS number of 3,4,6-Trichloroguaiacol is 60712-44-9.
What is the molecular formula of 3,4,6-Trichloroguaiacol?
The molecular formula of 3,4,6-Trichloroguaiacol is C7H5Cl3O2.
What is the molecular weight of 3,4,6-Trichloroguaiacol?
The molecular weight of 3,4,6-Trichloroguaiacol is 225.94 g/mol.
Where can I buy 3,4,6-Trichloroguaiacol?
You can request a quote for 3,4,6-Trichloroguaiacol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-Trichloroguaiacol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-Trichloroguaiacol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.