![5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/7646/76469-58-4.webp)
5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 76469-58-4) is a chemical compound with molecular formula C21H13NO4 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-12-(4-methylphenoxy)-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 01121524, 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one, 5-Hydroxy-3-p-tolyloxy-anthra[1,9-cd]isoxazol-6-one, 5-hydroxy-3-(4-methylphenoxy)-6H-anthra[1,9-cd]isoxazol-6-one, 5-hydroxy-3-(4-methylphenoxy)-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C21H13NO4 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.08447 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 76469-58-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)O |
| InChIKey | JOVYPYIPNCZZFU-UHFFFAOYSA-N |
Product Overview
5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 76469-58-4), with molecular formula C21H13NO4 and molecular weight 343.08 g/mol. IUPAC: 10-hydroxy-12-(4-methylphenoxy)-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-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 5.0 indicates that 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one has 1 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 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one is 76469-58-4.
What is the molecular formula of 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one is C21H13NO4.
What is the molecular weight of 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one is 343.08 g/mol.
Where can I buy 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-hydroxy-3-(p-tolyloxy)-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-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-hydroxy-3-(p-tolyloxy)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.