![1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione structure](/static/products/858/858739-23-8.png)
1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione
TL;DR: 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione (CAS 858739-23-8) is a chemical compound with molecular formula C17H15F6NO5 and molecular weight 427.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione
Also Known As: 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione, 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione
| Molecular Formula | C17H15F6NO5 |
|---|---|
| Molecular Weight | 427.09 g/mol |
| LogP | 2.8319 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.08545 |
| Heavy Atoms | 29 |
| Complexity | 824.186 |
Chemical Identifiers
| CAS Number | 858739-23-8 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)OC)OCO3 |
Product Overview
1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione (CAS 858739-23-8), with molecular formula C17H15F6NO5 and molecular weight 427.09 g/mol. IUPAC: 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione.
Chemical Property Profile of 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione
Property Insights of 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione
The XLogP value of 2.8319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione. Following Lipinski's Rule of Five, 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione 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 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione?
The CAS number of 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione is 858739-23-8.
What is the molecular formula of 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione?
The molecular formula of 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione is C17H15F6NO5.
What is the molecular weight of 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione?
The molecular weight of 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione is 427.09 g/mol.
Where can I buy 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione?
You can request a quote for 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,5,5,5-hexafluoro-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.