4-Chloro-alpha-(trichloromethyl)benzenemethanol
TL;DR: 4-Chloro-alpha-(trichloromethyl)benzenemethanol (CAS 5333-82-4) is a chemical compound with molecular formula C8H6Cl4O and molecular weight 257.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(4-chlorophenyl)ethanol
Also Known As: 2,2,2-trichloro-1-(4-chlorophenyl)ethanol, BENZYL ALCOHOL, p-CHLORO-alpha-(TRICHLOROMETHYL)-, AI3-04536, 1-(4-Chlorophenyl)-2,2,2-trichloroethanol, alpha-(Trichloromethyl)-4-chlorobenzenemethanol
| Molecular Formula | C8H6Cl4O |
|---|---|
| Molecular Weight | 257.92 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.91434 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 5333-82-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(Cl)(Cl)Cl)O)Cl |
| InChIKey | LQAPSMWXDFJNGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-alpha-(trichloromethyl)benzenemethanol (CAS 5333-82-4), with molecular formula C8H6Cl4O and molecular weight 257.92 g/mol. IUPAC: 2,2,2-trichloro-1-(4-chlorophenyl)ethanol.
Chemical Property Profile of 4-Chloro-alpha-(trichloromethyl)benzenemethanol
Property Insights of 4-Chloro-alpha-(trichloromethyl)benzenemethanol
The XLogP value of 3.5 indicates that 4-Chloro-alpha-(trichloromethyl)benzenemethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Chloro-alpha-(trichloromethyl)benzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-alpha-(trichloromethyl)benzenemethanol 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 4-Chloro-alpha-(trichloromethyl)benzenemethanol?
The CAS number of 4-Chloro-alpha-(trichloromethyl)benzenemethanol is 5333-82-4.
What is the molecular formula of 4-Chloro-alpha-(trichloromethyl)benzenemethanol?
The molecular formula of 4-Chloro-alpha-(trichloromethyl)benzenemethanol is C8H6Cl4O.
What is the molecular weight of 4-Chloro-alpha-(trichloromethyl)benzenemethanol?
The molecular weight of 4-Chloro-alpha-(trichloromethyl)benzenemethanol is 257.92 g/mol.
Where can I buy 4-Chloro-alpha-(trichloromethyl)benzenemethanol?
You can request a quote for 4-Chloro-alpha-(trichloromethyl)benzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-alpha-(trichloromethyl)benzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-alpha-(trichloromethyl)benzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.