![5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/7575/75753-39-8.webp)
5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 75753-39-8) is a chemical compound with molecular formula C20H11ClN2O2 and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-chloroanilino)-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_019273, BAS 01121509, 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one, 5-(4-Chloro-phenylamino)-anthra[1,9-cd]isoxazol-6-one, 5-(4-CHLOROANILINO)-6H-ANTHRA[1,9-CD]ISOXAZOL-6-ONE
| Molecular Formula | C20H11ClN2O2 |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.0509 |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 75753-39-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=NO3)C=CC(=C4C2=O)NC5=CC=C(C=C5)Cl |
| InChIKey | HLORSWZQASTNNE-UHFFFAOYSA-N |
Product Overview
5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 75753-39-8), with molecular formula C20H11ClN2O2 and molecular weight 346.05 g/mol. IUPAC: 10-(4-chloroanilino)-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)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 5.6 indicates that 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one has 1 hydrogen bond donor(s) and 4 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)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is 75753-39-8.
What is the molecular formula of 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is C20H11ClN2O2.
What is the molecular weight of 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is 346.05 g/mol.
Where can I buy 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-((4-chlorophenyl)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-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-chlorophenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.