![5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/3320/332099-99-7.webp)
5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 332099-99-7) is a chemical compound with molecular formula C26H22ClN3O2 and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-chloroanilino)-12-(cyclohexylamino)-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: BAS 01117187, 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one, 5-((4-chlorophenyl)amino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one, 10-(4-chloroanilino)-12-(cyclohexylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one, 5-(4-Chloro-phenylamino)-3-cyclohexylamino-anthra[1,9-cd]isoxazol-6-one
| Molecular Formula | C26H22ClN3O2 |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 7.1808 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.14005 |
| Heavy Atoms | 32 |
| Complexity | 1337.4484 |
Chemical Identifiers
| CAS Number | 332099-99-7 |
|---|---|
| SMILES | C1CCC(CC1)NC2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NC6=CC=C(C=C6)Cl |
Product Overview
5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 332099-99-7), with molecular formula C26H22ClN3O2 and molecular weight 443.14 g/mol. IUPAC: 10-(4-chloroanilino)-12-(cyclohexylamino)-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-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 7.1808 indicates that 5-(4-chloroanilino)-3-(cyclohexylamino)-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-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 5-(4-chloroanilino)-3-(cyclohexylamino)-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-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one is 332099-99-7.
What is the molecular formula of 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one is C26H22ClN3O2.
What is the molecular weight of 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one is 443.14 g/mol.
Where can I buy 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-(4-chloroanilino)-3-(cyclohexylamino)-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-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chloroanilino)-3-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.