![3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/879/879562-99-9.png)
3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 879562-99-9) is a chemical compound with molecular formula C22H15ClN2O4 and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(4-chlorophenoxy)-10-(2-hydroxyethylamino)-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: 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one, 3-(4-chlorophenoxy)-5-[(2-hydroxyethyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C22H15ClN2O4 |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 4.8891 |
| Topological Polar Surface Area | 84.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.07202 |
| Heavy Atoms | 29 |
| Complexity | 1247.8949 |
Chemical Identifiers
| CAS Number | 879562-99-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C(C4=NO3)OC5=CC=C(C=C5)Cl)NCCO)C2=O |
Product Overview
3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 879562-99-9), with molecular formula C22H15ClN2O4 and molecular weight 406.07 g/mol. IUPAC: 12-(4-chlorophenoxy)-10-(2-hydroxyethylamino)-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-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 4.8891 indicates that 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one has 2 hydrogen bond donor(s) and 6 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 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is 879562-99-9.
What is the molecular formula of 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is C22H15ClN2O4.
What is the molecular weight of 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is 406.07 g/mol.
Where can I buy 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-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-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenoxy)-5-((2-hydroxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.