2-Chloro-4-(2,2,2-trifluoroethoxy)phenol
TL;DR: 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol (CAS 113770-65-3) is a chemical compound with molecular formula C20H19Cl2N3O5S and molecular weight 483.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
Also Known As: 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol, [2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzene-1-sulfonate, p-Toluenesulfonic acid [2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methyl ester
| Molecular Formula | C20H19Cl2N3O5S |
|---|---|
| Molecular Weight | 483.04 g/mol |
| LogP | 3.56722 |
| Topological Polar Surface Area | 92.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.04224 |
| Heavy Atoms | 31 |
| Complexity | 1156.0682 |
Chemical Identifiers
| CAS Number | 113770-65-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
2-Chloro-4-(2,2,2-trifluoroethoxy)phenol (CAS 113770-65-3), with molecular formula C20H19Cl2N3O5S and molecular weight 483.04 g/mol. IUPAC: [2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol
Property Insights of 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol
The XLogP value of 3.56722 indicates that 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol. Following Lipinski's Rule of Five, 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol has 0 hydrogen bond donor(s) and 7 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-Chloro-4-(2,2,2-trifluoroethoxy)phenol?
The CAS number of 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol is 113770-65-3.
What is the molecular formula of 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol?
The molecular formula of 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol is C20H19Cl2N3O5S.
What is the molecular weight of 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol?
The molecular weight of 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol is 483.04 g/mol.
Where can I buy 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol?
You can request a quote for 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.