![3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/7646/76469-61-9.webp)
3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one (CAS 76469-61-9) is a chemical compound with molecular formula C24H19NO4 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(4-tert-butylphenoxy)-10-hydroxy-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: ChemDiv1_018660, DivK1c_003444, CDS1_002404, BAS 01121525, 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one
| Molecular Formula | C24H19NO4 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 5.8346 |
| Topological Polar Surface Area | 72.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.1314 |
| Heavy Atoms | 29 |
| Complexity | 1276.9724 |
Chemical Identifiers
| CAS Number | 76469-61-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)O |
Product Overview
3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one (CAS 76469-61-9), with molecular formula C24H19NO4 and molecular weight 385.13 g/mol. IUPAC: 12-(4-tert-butylphenoxy)-10-hydroxy-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 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 5.8346 indicates that 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one is 76469-61-9.
What is the molecular formula of 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one is C24H19NO4.
What is the molecular weight of 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one is 385.13 g/mol.
Where can I buy 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 3-(4-(tert-butyl)phenoxy)-5-hydroxy-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 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(tert-butyl)phenoxy)-5-hydroxy-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.