Isotox
TL;DR: Isotox (CAS 69847-99-0) is a chemical compound with molecular formula C32H35Cl5NO7PS2 and molecular weight 815.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Isotox
1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;naphthalen-1-yl N-methylcarbamate;2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
Also Known As: Isotox, Phosphorothioic acid, S-(2-(ethylsulfinyl)ethyl) O,O-dimethyl ester, mixt. with 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol and 1-naphthalenyl methylcarbamate, 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane; naphthalen-1-yl N-methylcarbamate; 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
| Molecular Formula | C32H35Cl5NO7PS2 |
|---|---|
| Molecular Weight | 815.00 g/mol |
| LogP | 10.0466 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 815.00354 |
| Heavy Atoms | 48 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 69847-99-0 |
|---|---|
| SMILES | CCS(=O)CCSP(=O)(OC)OC.CNC(=O)OC1=CC=CC2=CC=CC=C21.C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl |
| InChIKey | WQKUBYVAJCRFHF-UHFFFAOYSA-N |
Product Overview
Isotox (CAS 69847-99-0), with molecular formula C32H35Cl5NO7PS2 and molecular weight 815.00 g/mol. IUPAC: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane;naphthalen-1-yl N-methylcarbamate;2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol.
Chemical Property Profile of Isotox
Property Insights of Isotox
The XLogP value of 10.0466 indicates that Isotox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Isotox may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isotox has 2 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 Isotox?
The CAS number of Isotox is 69847-99-0.
What is the molecular formula of Isotox?
The molecular formula of Isotox is C32H35Cl5NO7PS2.
What is the molecular weight of Isotox?
The molecular weight of Isotox is 815.00 g/mol.
Where can I buy Isotox?
You can request a quote for Isotox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotox?
Yes, KEHONG BIO provides custom synthesis services for Isotox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.