![hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate structure](/static/products/953/95310-37-5.png)
hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate
TL;DR: hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate (CAS 95310-37-5) is a chemical compound with molecular formula C21H19NO4 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxylate
Also Known As: ChemDiv1_019047, BAS 01121520, hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate, hexyl 6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate, 6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid hexyl ester
| Molecular Formula | C21H19NO4 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 4.7763 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.1314 |
| Heavy Atoms | 26 |
| Complexity | 1002.41376 |
Chemical Identifiers
| CAS Number | 95310-37-5 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=C2C3=C(C4=CC=CC=C4C2=O)ON=C13 |
Product Overview
hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate (CAS 95310-37-5), with molecular formula C21H19NO4 and molecular weight 349.13 g/mol. IUPAC: hexyl 8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxylate.
Chemical Property Profile of hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate
Property Insights of hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate
The XLogP value of 4.7763 indicates that hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate. Following Lipinski's Rule of Five, hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
The CAS number of hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is 95310-37-5.
What is the molecular formula of hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
The molecular formula of hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is C21H19NO4.
What is the molecular weight of hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
The molecular weight of hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is 349.13 g/mol.
Where can I buy hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
You can request a quote for hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for hexyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.