![methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate structure](/static/products/866/866050-65-9.png)
methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate
TL;DR: methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate (CAS 866050-65-9) is a chemical compound with molecular formula C17H11F3N2O5 and molecular weight 380.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-3-(2,2,2-trifluoroethyl)-[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate
Also Known As: methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate, 6W-0848, methyl 4-oxo-3-(2,2,2-trifluoroethyl)-[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate, methyl 6-oxo-5-(2,2,2-trifluoroethyl)-13,15-dioxa-5,9-diazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,8,11,16-hexaene-8-carboxylate, methyl 6-oxo-5-(2,2,2-trifluoroethyl)-13,15-dioxa-5,9-diazatetracyclo[8.7.0.0(2),?.0(1)(2),(1)?]heptadeca-1(10),2(7),3,8,11,16-hexaene-8-carboxylate
| Molecular Formula | C17H11F3N2O5 |
|---|---|
| Molecular Weight | 380.06 g/mol |
| LogP | 2.6273 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.062 |
| Heavy Atoms | 27 |
| Complexity | 1153.4435 |
Chemical Identifiers
| CAS Number | 866050-65-9 |
|---|---|
| SMILES | COC(=O)C1=NC2=CC3=C(C=C2C4=C1C(=O)N(C=C4)CC(F)(F)F)OCO3 |
Product Overview
methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate (CAS 866050-65-9), with molecular formula C17H11F3N2O5 and molecular weight 380.06 g/mol. IUPAC: methyl 4-oxo-3-(2,2,2-trifluoroethyl)-[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate.
Chemical Property Profile of methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate
Property Insights of methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate
The XLogP value of 2.6273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate. Following Lipinski's Rule of Five, methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate has 0 hydrogen bond donor(s) and 6 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 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate?
The CAS number of methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate is 866050-65-9.
What is the molecular formula of methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate?
The molecular formula of methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate is C17H11F3N2O5.
What is the molecular weight of methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate?
The molecular weight of methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate is 380.06 g/mol.
Where can I buy methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate?
You can request a quote for methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro[1,3]benzodioxolo[5,6-c][2,7]naphthyridine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.