4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride
TL;DR: 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride (CAS 338962-07-5) is a chemical compound with molecular formula C13H6ClF3N2O7S and molecular weight 425.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
Also Known As: 5M-009, 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride, 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenesulfonyl Chloride, 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzene-1-sulfonyl chloride, 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenesulfonoyl chloride
| Molecular Formula | C13H6ClF3N2O7S |
|---|---|
| Molecular Weight | 425.95 g/mol |
| LogP | 4.2416 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.95364 |
| Heavy Atoms | 27 |
| Complexity | 988.1891 |
Chemical Identifiers
| CAS Number | 338962-07-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])S(=O)(=O)Cl |
Product Overview
4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride (CAS 338962-07-5), with molecular formula C13H6ClF3N2O7S and molecular weight 425.95 g/mol. IUPAC: 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride.
Chemical Property Profile of 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride
Property Insights of 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride
The XLogP value of 4.2416 indicates that 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride. Following Lipinski's Rule of Five, 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride 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 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride?
The CAS number of 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride is 338962-07-5.
What is the molecular formula of 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride?
The molecular formula of 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride is C13H6ClF3N2O7S.
What is the molecular weight of 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride?
The molecular weight of 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride is 425.95 g/mol.
Where can I buy 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride?
You can request a quote for 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6-Dinitro-4-(trifluoromethyl)phenoxy)benzenesulfonoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.