(1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
TL;DR: (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate (CAS 536722-04-0) is a chemical compound with molecular formula C20H12ClFN2O5 and molecular weight 414.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate, (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, (1,3-dioxoisoindol-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, (1,3-dioxo-2-isoindolinyl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylate
| Molecular Formula | C20H12ClFN2O5 |
|---|---|
| Molecular Weight | 414.04 g/mol |
| LogP | 3.85302 |
| Topological Polar Surface Area | 89.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.04187 |
| Heavy Atoms | 29 |
| Complexity | 1118.1783 |
Chemical Identifiers
| CAS Number | 536722-04-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
(1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate (CAS 536722-04-0), with molecular formula C20H12ClFN2O5 and molecular weight 414.04 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
Property Insights of (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
The XLogP value of 3.85302 indicates that (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate. Following Lipinski's Rule of Five, (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate has 0 hydrogen bond donor(s) and 6 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 (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
The CAS number of (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate is 536722-04-0.
What is the molecular formula of (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
The molecular formula of (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate is C20H12ClFN2O5.
What is the molecular weight of (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
The molecular weight of (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate is 414.04 g/mol.
Where can I buy (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
You can request a quote for (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-dioxoisoindolin-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.