3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
TL;DR: 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride (CAS 4462-55-9) is a chemical compound with molecular formula C11H6Cl3NO2 and molecular weight 288.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
Also Known As: Dcimc chloride, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride, Dicloxacillin Sodium Impurity 21
| Molecular Formula | C11H6Cl3NO2 |
|---|---|
| Molecular Weight | 288.95 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.9464 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 4462-55-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl |
| InChIKey | IZQGELJKDARDMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride (CAS 4462-55-9), with molecular formula C11H6Cl3NO2 and molecular weight 288.95 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride.
Chemical Property Profile of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
Property Insights of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
The XLogP value of 4.2 indicates that 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride has 0 hydrogen bond donor(s) and 3 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 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride?
The CAS number of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride is 4462-55-9.
What is the molecular formula of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride?
The molecular formula of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride is C11H6Cl3NO2.
What is the molecular weight of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride?
The molecular weight of 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride is 288.95 g/mol.
Where can I buy 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride?
You can request a quote for 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.