6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)-
TL;DR: 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)- (CAS 153880-59-2) is a chemical compound with molecular formula C20H6F5NO3 and molecular weight 403.0268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-(2,3,4,5,6-pentafluorophenoxy)-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: BAS 01121555, 5-Pentafluorophenyloxy-anthra[1,9-cd]isoxazol-6-one, 6H-Anthra[1,9-cd]isoxazol-6-one, 5-(pentafluorophenoxy)-, 5-(pentafluorophenoxy)-6H-anthra[1,9-cd][1,2]oxazol-6-one, 5-(perfluorophenoxy)-6H-anthra[1,9-cd]isoxazol-6-one
Technical Specifications
| Molecular Formula | C20H6F5NO3 |
| Molecular Weight | 403.0268 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.0268 Da |
| Heavy Atoms | 29 |
| Complexity | 640.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=NO3)C=CC(=C4C2=O)OC5=C(C(=C(C(=C5F)F)F)F)F |
| InChIKey | YYSBGRJRRWOOJO-UHFFFAOYSA-N |
Chemical Property Profile of 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)-
Property Insights of 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)-
The XLogP value of 4.9 indicates that 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)- has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)-?
The CAS number of 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)- is 153880-59-2.
What is the molecular formula of 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)-?
The molecular formula of 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)- is C20H6F5NO3.
What is the molecular weight of 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)-?
The molecular weight of 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)- is 403.0268 g/mol.
Where can I buy 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)-?
You can request a quote for 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)-?
Yes, CoreyChem provides custom synthesis services for 6H-Anthra(1,9-cd)isoxazol-6-one, 5-(pentafluorophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.