6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol
TL;DR: 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol (CAS 23500-79-0) is a chemical compound with molecular formula C13H19ClO and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenol
Also Known As: 6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenol, Oxymetazoline Impurity N1, Oxymetazoline Impurity 17, Phenol, 3-(chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethyl-, 6-tert-Butyl-3-(chloromethyl)-2,4-xylenol
| Molecular Formula | C13H19ClO |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.11244 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 23500-79-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CCl)C)O)C(C)(C)C |
| InChIKey | WODZSHMAILHEGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol (CAS 23500-79-0), with molecular formula C13H19ClO and molecular weight 226.11 g/mol. IUPAC: 6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenol.
Chemical Property Profile of 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol
Property Insights of 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol
The XLogP value of 4.4 indicates that 6-tert-Butyl-3-(chloromethyl)-2,4-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, 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-3-(chloromethyl)-2,4-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 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol?
The CAS number of 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol is 23500-79-0.
What is the molecular formula of 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol?
The molecular formula of 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol is C13H19ClO.
What is the molecular weight of 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol?
The molecular weight of 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol is 226.11 g/mol.
Where can I buy 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol?
You can request a quote for 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.