![5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate structure](/static/products/896/896077-46-6.png)
5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate
TL;DR: 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate (CAS 896077-46-6) is a chemical compound with molecular formula C27H14N2O7 and molecular weight 478.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-oxo-12-phenoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,11,13-heptaen-8-yl) 4-nitrobenzoate
Also Known As: 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate, 5-oxo-3-phenoxy-5H-anthra[1,9-cd][1,2]oxazol-6-yl 4-nitrobenzoate
| Molecular Formula | C27H14N2O7 |
|---|---|
| Molecular Weight | 478.08 g/mol |
| LogP | 5.7246 |
| Topological Polar Surface Area | 121.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.0801 |
| Heavy Atoms | 36 |
| Complexity | 1735.6808 |
Chemical Identifiers
| CAS Number | 896077-46-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC(=O)C3=C(C4=CC=CC=C4C5=C3C2=NO5)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate (CAS 896077-46-6), with molecular formula C27H14N2O7 and molecular weight 478.08 g/mol. IUPAC: (10-oxo-12-phenoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,11,13-heptaen-8-yl) 4-nitrobenzoate.
Chemical Property Profile of 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate
Property Insights of 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate
The XLogP value of 5.7246 indicates that 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate?
The CAS number of 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate is 896077-46-6.
What is the molecular formula of 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate?
The molecular formula of 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate is C27H14N2O7.
What is the molecular weight of 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate?
The molecular weight of 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate is 478.08 g/mol.
Where can I buy 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate?
You can request a quote for 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-oxo-3-phenoxy-5H-anthra[1,9-cd]isoxazol-6-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.