![3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate structure](/static/products/3855/38556-34-2.webp)
3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate
TL;DR: 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate (CAS 38556-34-2) is a chemical compound with molecular formula C20H13ClF3NO6S and molecular weight 487.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl] 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate
Also Known As: [3-(trifluoromethyl)phenyl] 4-[(2-chloro-4-nitrophenoxy)meth|3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate|[3-(trifluoromethyl)phenyl] 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate
| Molecular Formula | C20H13ClF3NO6S |
|---|---|
| Molecular Weight | 487.01 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.0104 |
| Heavy Atoms | 32 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 38556-34-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(F)(F)F |
| InChIKey | VTOYYCIIBKAIPM-UHFFFAOYSA-N |
Product Overview
3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate (CAS 38556-34-2), with molecular formula C20H13ClF3NO6S and molecular weight 487.01 g/mol. IUPAC: [3-(trifluoromethyl)phenyl] 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate.
Chemical Property Profile of 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate
Property Insights of 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate
The XLogP value of 5.8 indicates that 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate?
The CAS number of 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate is 38556-34-2.
What is the molecular formula of 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate?
The molecular formula of 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate is C20H13ClF3NO6S.
What is the molecular weight of 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate?
The molecular weight of 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate is 487.01 g/mol.
Where can I buy 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate?
You can request a quote for 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)phenyl 4-[(2-chloro-4-nitrophenoxy)methyl]benzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.