Halosafen
TL;DR: Halosafen (CAS 77227-69-1) is a chemical compound with molecular formula C16H11ClF4N2O6S and molecular weight 470.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-ethylsulfonyl-2-nitrobenzamide
Also Known As: Halosafen, Halosafen [ISO], 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-ethylsulfonyl-2-nitrobenzamide, Benzamide, 5-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-N-(ethylsulfonyl)-2-nitro-, 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-ethylsulf
| Molecular Formula | C16H11ClF4N2O6S |
|---|---|
| Molecular Weight | 470.00 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.99625 |
| Heavy Atoms | 30 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 77227-69-1 |
|---|---|
| SMILES | CCS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)C(F)(F)F)F)[N+](=O)[O-] |
| InChIKey | QQOGZMUZAZWLJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Halosafen (CAS 77227-69-1), with molecular formula C16H11ClF4N2O6S and molecular weight 470.00 g/mol. IUPAC: 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-ethylsulfonyl-2-nitrobenzamide.
Chemical Property Profile of Halosafen
Property Insights of Halosafen
The XLogP value of 4.1 indicates that Halosafen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Halosafen. Following Lipinski's Rule of Five, Halosafen has 1 hydrogen bond donor(s) and 10 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 Halosafen?
The CAS number of Halosafen is 77227-69-1.
What is the molecular formula of Halosafen?
The molecular formula of Halosafen is C16H11ClF4N2O6S.
What is the molecular weight of Halosafen?
The molecular weight of Halosafen is 470.00 g/mol.
Where can I buy Halosafen?
You can request a quote for Halosafen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halosafen?
Yes, KEHONG BIO provides custom synthesis services for Halosafen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.