![5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/372/372505-66-3.png)
5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 372505-66-3) is a chemical compound with molecular formula C21H14ClN3O2 and molecular weight 375.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-chloroanilino)-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: 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one, 5-[(4-chlorophenyl)amino]-3-(methylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C21H14ClN3O2 |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 5.4779 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.07745 |
| Heavy Atoms | 27 |
| Complexity | 1212.3093 |
Chemical Identifiers
| CAS Number | 372505-66-3 |
|---|---|
| SMILES | CNC1=CC(=C2C3=C(C4=CC=CC=C4C2=O)ON=C13)NC5=CC=C(C=C5)Cl |
Product Overview
5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 372505-66-3), with molecular formula C21H14ClN3O2 and molecular weight 375.08 g/mol. IUPAC: 10-(4-chloroanilino)-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 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 5.4779 indicates that 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one has 2 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 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one is 372505-66-3.
What is the molecular formula of 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one is C21H14ClN3O2.
What is the molecular weight of 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one is 375.08 g/mol.
Where can I buy 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-((4-chlorophenyl)amino)-3-(methylamino)-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-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-chlorophenyl)amino)-3-(methylamino)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.