Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate
TL;DR: Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate (CAS 82419-95-2) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxa-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),5,7-tetraene-5-carboxylate
Also Known As: ethyl [?]carboxylate, 2,3-difluoro-6-nitro-phenol, Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate, Ethyl 7,8-dihydro-6H-isoxazolo[5,4,3-de]quinoline-3-carboxylate, 6H-ISOXAZOLO(5,4,3-DE)QUINOLINE-3-CARBOXYLIC ACID, 7,8-DIHYDRO-, ETHYL ESTER
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 82419-95-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2CCCC3=NOC1=C23 |
| InChIKey | MAGRQNTZWGCCNB-UHFFFAOYSA-N |
Product Overview
Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate (CAS 82419-95-2), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: ethyl 3-oxa-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),5,7-tetraene-5-carboxylate.
Chemical Property Profile of Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate
Property Insights of Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-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 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate?
The CAS number of Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate is 82419-95-2.
What is the molecular formula of Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate?
The molecular formula of Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate is C12H12N2O3.
What is the molecular weight of Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate?
The molecular weight of Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate is 232.08 g/mol.
Where can I buy Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate?
You can request a quote for Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-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 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7,8-dihydro-6H-isoxazolo(5,4,3-de)quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.