4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate
TL;DR: 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate (CAS 338414-06-5) is a chemical compound with molecular formula C19H10ClF3N2O4S and molecular weight 454.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonate
Also Known As: 3M-011, 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate, (4-cyanophenyl) 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate, 4-cyanophenyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzene-1-sulfonate, 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]sulfonyloxybenzonitrile
| Molecular Formula | C19H10ClF3N2O4S |
|---|---|
| Molecular Weight | 454.00 g/mol |
| LogP | 5.18548 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.00018 |
| Heavy Atoms | 30 |
| Complexity | 1206.5123 |
Chemical Identifiers
| CAS Number | 338414-06-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate (CAS 338414-06-5), with molecular formula C19H10ClF3N2O4S and molecular weight 454.00 g/mol. IUPAC: (4-cyanophenyl) 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonate.
Chemical Property Profile of 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate
Property Insights of 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate
The XLogP value of 5.18548 indicates that 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate. Following Lipinski's Rule of Five, 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate?
The CAS number of 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate is 338414-06-5.
What is the molecular formula of 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate?
The molecular formula of 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate is C19H10ClF3N2O4S.
What is the molecular weight of 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate?
The molecular weight of 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate is 454.00 g/mol.
Where can I buy 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate?
You can request a quote for 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl 4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.