![ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate structure](/static/products/953/95310-35-3.png)
ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate
TL;DR: ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate (CAS 95310-35-3) is a chemical compound with molecular formula C17H11NO4 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxylate
Also Known As: ChemDiv1_018920, DivK1c_003704, CDS1_002664, BAS 01121519, BIM-0021537.P001
| Molecular Formula | C17H11NO4 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 3.2159 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.06882 |
| Heavy Atoms | 22 |
| Complexity | 938.982 |
Chemical Identifiers
| CAS Number | 95310-35-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C2C3=C(C4=CC=CC=C4C2=O)ON=C13 |
Product Overview
ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate (CAS 95310-35-3), with molecular formula C17H11NO4 and molecular weight 293.07 g/mol. IUPAC: ethyl 8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxylate.
Chemical Property Profile of ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate
Property Insights of ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate
The XLogP value of 3.2159 indicates that ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
The CAS number of ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is 95310-35-3.
What is the molecular formula of ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
The molecular formula of ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is C17H11NO4.
What is the molecular weight of ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
The molecular weight of ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is 293.07 g/mol.
Where can I buy ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
You can request a quote for ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.