| Pubchem ID | 47207232 |
|---|---|
| CAS | 9005-71-4 |
| IUPAC name | 2-(3-chlorophenyl)-4-(ethylsulfonylmethyl)-1,3-oxazole |
| Synonyms | - |
| Categories | Emulsifier |
| SMILES | CCS(=O)(=O)CC1=COC(=N1)C2=CC(=CC=C2)Cl |
| InCheykey | InChI=1S/C12H12ClNO3S/c1-2-18(15,16)8-11-7-17-12(14-11)9-4-3-5-10(13)6-9/h3-7H,2,8H2,1H3 |
| Natural | nan |
| E No. | E433 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 285.742 | 0 | 4 | 4 | 68.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |