![5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/808/80849-95-2.png)
5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one (CAS 80849-95-2) is a chemical compound with molecular formula C16H11NO3 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-ethoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Also Known As: 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one, 5-Ethoxy-anthra[1,9-cd]isoxazol-6-one, BAS 01121564, BIM-0020479.P001, AB00085927-01
| Molecular Formula | C16H11NO3 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.07388 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 80849-95-2 |
|---|---|
| SMILES | CCOC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C=C1 |
| InChIKey | UAOUQDXIWHQNEH-UHFFFAOYSA-N |
Product Overview
5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one (CAS 80849-95-2), with molecular formula C16H11NO3 and molecular weight 265.07 g/mol. IUPAC: 10-ethoxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.
Chemical Property Profile of 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 3.2 indicates that 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one has 0 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 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one is 80849-95-2.
What is the molecular formula of 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one is C16H11NO3.
What is the molecular weight of 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one is 265.07 g/mol.
Where can I buy 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-ethoxy-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.