![5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/757/75753-41-2.png)
5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 75753-41-2) is a chemical compound with molecular formula C21H14N2O3 and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-methoxyanilino)-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_028247, MixCom6_000439, BAS 01121505, BIM-0021567.P001, 5-(3-Methoxy-phenylamino)-anthra[1,9-cd]isoxazol-6-one
| Molecular Formula | C21H14N2O3 |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.10043 |
| Heavy Atoms | 26 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 75753-41-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C=C2 |
| InChIKey | JYCVIMUIGZOVAH-UHFFFAOYSA-N |
Product Overview
5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 75753-41-2), with molecular formula C21H14N2O3 and molecular weight 342.10 g/mol. IUPAC: 10-(3-methoxyanilino)-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-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 4.9 indicates that 5-((3-methoxyphenyl)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 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 5-((3-methoxyphenyl)amino)-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-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is 75753-41-2.
What is the molecular formula of 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is C21H14N2O3.
What is the molecular weight of 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is 342.10 g/mol.
Where can I buy 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-((3-methoxyphenyl)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 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.