![5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/926/92665-71-9.png)
5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 92665-71-9) is a chemical compound with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(aziridin-1-yl)-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 01117224, 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one, 5-Aziridin-1-yl-anthra[1,9-cd]isoxazol-6-one, AB00086120-01, 5-(aziridin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C16H10N2O2 |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 2.8592 |
| Topological Polar Surface Area | 46.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.07422 |
| Heavy Atoms | 20 |
| Complexity | 890.6283 |
Chemical Identifiers
| CAS Number | 92665-71-9 |
|---|---|
| SMILES | C1CN1C2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C=C2 |
Product Overview
5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 92665-71-9), with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol. IUPAC: 10-(aziridin-1-yl)-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-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 2.8592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one. With a topological polar surface area (TPSA) of 46.11 Ų, 5-(aziridin-1-yl)-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-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one has 0 hydrogen bond donor(s) and 4 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 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one is 92665-71-9.
What is the molecular formula of 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one is C16H10N2O2.
What is the molecular weight of 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one is 262.07 g/mol.
Where can I buy 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-(aziridin-1-yl)-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-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(aziridin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.