4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole
TL;DR: 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole (CAS 338962-68-8) is a chemical compound with molecular formula C12H11Cl2NO and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole
Also Known As: Bionet2_000862, 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole, 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole, 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole #, Isoxazole, 4-(2,6-dichlorobenzyl)-3,5-dimethyl-
| Molecular Formula | C12H11Cl2NO |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.02177 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 338962-68-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CC2=C(C=CC=C2Cl)Cl |
| InChIKey | VGNJLSIZHGSJOS-UHFFFAOYSA-N |
Product Overview
4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole (CAS 338962-68-8), with molecular formula C12H11Cl2NO and molecular weight 255.02 g/mol. IUPAC: 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole
Property Insights of 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole
The XLogP value of 4.3 indicates that 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole has 0 hydrogen bond donor(s) and 2 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-Dichlorobenzyl)-3,5-dimethylisoxazole?
The CAS number of 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole is 338962-68-8.
What is the molecular formula of 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole?
The molecular formula of 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole is C12H11Cl2NO.
What is the molecular weight of 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole?
The molecular weight of 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole is 255.02 g/mol.
Where can I buy 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole?
You can request a quote for 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole 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-Dichlorobenzyl)-3,5-dimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.