![3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/7575/75753-51-4.webp)
3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 75753-51-4) is a chemical compound with molecular formula C21H15N3O2 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-anilino-12-(methylamino)-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-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one, 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C21H15N3O2 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.11642 |
| Heavy Atoms | 26 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 75753-51-4 |
|---|---|
| SMILES | CNC1=CC(=C2C3=C(C4=CC=CC=C4C2=O)ON=C13)NC5=CC=CC=C5 |
| InChIKey | CKTZMWVCQJBIFH-UHFFFAOYSA-N |
Product Overview
3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 75753-51-4), with molecular formula C21H15N3O2 and molecular weight 341.12 g/mol. IUPAC: 10-anilino-12-(methylamino)-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-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 5.0 indicates that 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one has 2 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 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one is 75753-51-4.
What is the molecular formula of 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one is C21H15N3O2.
What is the molecular weight of 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one is 341.12 g/mol.
Where can I buy 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 3-(methylamino)-5-(phenylamino)-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-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylamino)-5-(phenylamino)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.