2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate
TL;DR: 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate (CAS 18233-34-6) is a chemical compound with molecular formula C21H18Cl2O3S and molecular weight 420.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chlorophenyl)-2-(4-chlorophenyl)ethyl] 4-methylbenzenesulfonate
Also Known As: 2-(2-chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate, [2-(2-chlorophenyl)-2-(4-chlorophenyl)ethyl] 4-methylbenzenesulfonate, 2-(trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinamine, [2-(2-chlorophenyl)-2-(4-chlorophenyl)ethyl] 4-methylbenzene, 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C21H18Cl2O3S |
|---|---|
| Molecular Weight | 420.04 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.03537 |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 18233-34-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=C(C=C2)Cl)C3=CC=CC=C3Cl |
| InChIKey | RHORZYHFLYVMIY-UHFFFAOYSA-N |
Product Overview
2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate (CAS 18233-34-6), with molecular formula C21H18Cl2O3S and molecular weight 420.04 g/mol. IUPAC: [2-(2-chlorophenyl)-2-(4-chlorophenyl)ethyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate
Property Insights of 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate
The XLogP value of 6.2 indicates that 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate?
The CAS number of 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate is 18233-34-6.
What is the molecular formula of 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate?
The molecular formula of 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate is C21H18Cl2O3S.
What is the molecular weight of 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate?
The molecular weight of 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate is 420.04 g/mol.
Where can I buy 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate?
You can request a quote for 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenyl)-2-(4-chlorophenyl)ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.