![methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate structure](/static/products/953/95310-34-2.png)
methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate
TL;DR: methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate (CAS 95310-34-2) is a chemical compound with molecular formula C16H9NO4 and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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_018876, DivK1c_003660, CDS1_002620, methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate, BAS 01121518
| Molecular Formula | C16H9NO4 |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 2.8258 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.05316 |
| Heavy Atoms | 21 |
| Complexity | 923.1717 |
Chemical Identifiers
| CAS Number | 95310-34-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C2C3=C(C4=CC=CC=C4C2=O)ON=C13 |
Product Overview
methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate (CAS 95310-34-2), with molecular formula C16H9NO4 and molecular weight 279.05 g/mol. IUPAC: methyl 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 methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate
Property Insights of methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate
The XLogP value of 2.8258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 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 methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
The CAS number of methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is 95310-34-2.
What is the molecular formula of methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
The molecular formula of methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is C16H9NO4.
What is the molecular weight of methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
The molecular weight of methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate is 279.05 g/mol.
Where can I buy methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
You can request a quote for methyl 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 methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.