![N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide structure](/static/products/1004/100440-82-2.webp)
N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide
TL;DR: N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide (CAS 100440-82-2) is a chemical compound with molecular formula C19H16N2O3 and molecular weight 320.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide
Also Known As: N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide, BAS 01121501, 6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid tert-butylamide, AB00086048-01, BRD-K60070073-001-01-5
Technical Specifications
| Molecular Formula | C19H16N2O3 |
| Molecular Weight | 320.1161 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.1161 Da |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
| SMILES | CC(C)(C)NC(=O)C1=CC=C2C3=C(C4=CC=CC=C4C2=O)ON=C13 |
| InChIKey | HDVGDKFHEKMAKO-UHFFFAOYSA-N |
Chemical Property Profile of N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide
Property Insights of N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide
The XLogP value of 3.1 indicates that N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide. Following Lipinski's Rule of Five, N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
The CAS number of N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide is 100440-82-2.
What is the molecular formula of N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
The molecular formula of N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide is C19H16N2O3.
What is the molecular weight of N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
The molecular weight of N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide is 320.1161 g/mol.
Where can I buy N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
You can request a quote for N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(tert-Butyl)-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.