![[6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate structure](/static/products/5213/521318-47-8.webp)
[6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate
TL;DR: [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate (CAS 521318-47-8) is a chemical compound with molecular formula C16H8ClF3N2O5 and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate
Also Known As: [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate, 6-oxo-7-(trifluoromethyl)-2H,5H,6H,7H-[1,3]dioxolo[4,5-f]indol-7-yl 6-chloropyridine-3-carboxylate
| Molecular Formula | C16H8ClF3N2O5 |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 3.0304 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.0074 |
| Heavy Atoms | 27 |
| Complexity | 963.7635 |
Chemical Identifiers
| CAS Number | 521318-47-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(C(=O)N3)(C(F)(F)F)OC(=O)C4=CN=C(C=C4)Cl |
Product Overview
[6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate (CAS 521318-47-8), with molecular formula C16H8ClF3N2O5 and molecular weight 400.01 g/mol. IUPAC: [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate.
Chemical Property Profile of [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate
Property Insights of [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate
The XLogP value of 3.0304 indicates that [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate has 1 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 [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate?
The CAS number of [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate is 521318-47-8.
What is the molecular formula of [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate?
The molecular formula of [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate is C16H8ClF3N2O5.
What is the molecular weight of [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate?
The molecular weight of [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate is 400.01 g/mol.
Where can I buy [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate?
You can request a quote for [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [6-oxo-7-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl] 6-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.