![2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate structure](/static/products/926/92629-06-6.png)
2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate
TL;DR: 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate (CAS 92629-06-6) is a chemical compound with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-chloro-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl)amino]ethyl acetate
Also Known As: 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate, 2-[(3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino]ethyl acetate
| Molecular Formula | C18H13ClN2O4 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 3.6676 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0564 |
| Heavy Atoms | 25 |
| Complexity | 1025.3331 |
Chemical Identifiers
| CAS Number | 92629-06-6 |
|---|---|
| SMILES | CC(=O)OCCNC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C(=C1)Cl |
Product Overview
2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate (CAS 92629-06-6), with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol. IUPAC: 2-[(12-chloro-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl)amino]ethyl acetate.
Chemical Property Profile of 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate
Property Insights of 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate
The XLogP value of 3.6676 indicates that 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate. Following Lipinski's Rule of Five, 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate has 1 hydrogen bond donor(s) and 6 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 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate?
The CAS number of 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate is 92629-06-6.
What is the molecular formula of 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate?
The molecular formula of 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate is C18H13ClN2O4.
What is the molecular weight of 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate?
The molecular weight of 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate is 356.06 g/mol.
Where can I buy 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate?
You can request a quote for 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-chloro-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.