![6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde structure](/static/products/5467/5467-79-8.webp)
6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde
TL;DR: 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde (CAS 5467-79-8) is a chemical compound with molecular formula C15H7NO3 and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carbaldehyde
Also Known As: BIM-0020503.P001, 6-oxo-6h-anthra[1,9-cd][1,2]oxazole-3-carbaldehyde, 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde, N-(2-(2-Oxo-1-imidazolindinyl)ethyl)-N-phenylurea
| Molecular Formula | C15H7NO3 |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.04259 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 5467-79-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=CC=C(C4=NO3)C=O)C2=O |
| InChIKey | GBYOLJMDDILZQQ-UHFFFAOYSA-N |
Product Overview
6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde (CAS 5467-79-8), with molecular formula C15H7NO3 and molecular weight 249.04 g/mol. IUPAC: 8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carbaldehyde.
Chemical Property Profile of 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde
Property Insights of 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde. Following Lipinski's Rule of Five, 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde 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 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde?
The CAS number of 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde is 5467-79-8.
What is the molecular formula of 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde?
The molecular formula of 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde is C15H7NO3.
What is the molecular weight of 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde?
The molecular weight of 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde is 249.04 g/mol.
Where can I buy 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde?
You can request a quote for 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-oxo-6H-anthra[1,9-cd]isoxazole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.