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N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide
TL;DR: N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide (CAS 100440-81-1) is a chemical compound with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)-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-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide, N-(2-methylpropyl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxamide
| Molecular Formula | C19H16N2O3 |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 3.425 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.1161 |
| Heavy Atoms | 24 |
| Complexity | 985.4406 |
Chemical Identifiers
| CAS Number | 100440-81-1 |
|---|---|
| SMILES | CC(C)CNC(=O)C1=CC=C2C3=C(C4=CC=CC=C4C2=O)ON=C13 |
Product Overview
N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide (CAS 100440-81-1), with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol. IUPAC: N-(2-methylpropyl)-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.
Chemical Property Profile of N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide
Property Insights of N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide
The XLogP value of 3.425 indicates that N-isobutyl-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-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide. Following Lipinski's Rule of Five, N-isobutyl-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
Frequently Asked Questions
What is the CAS number of N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
The CAS number of N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide is 100440-81-1.
What is the molecular formula of N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
The molecular formula of N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide is C19H16N2O3.
What is the molecular weight of N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
The molecular weight of N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide is 320.12 g/mol.
Where can I buy N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
You can request a quote for N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-isobutyl-6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.