(1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate
TL;DR: (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate (CAS 433264-83-6) is a chemical compound with molecular formula C20H16F3NO7 and molecular weight 439.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy-[1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methyl] acetate
Also Known As: (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate, {1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl}methanediyl diacetate
| Molecular Formula | C20H16F3NO7 |
|---|---|
| Molecular Weight | 439.09 g/mol |
| LogP | 1.9707 |
| Topological Polar Surface Area | 99.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.0879 |
| Heavy Atoms | 31 |
| Complexity | 1004.271 |
Chemical Identifiers
| CAS Number | 433264-83-6 |
|---|---|
| SMILES | CC(=O)OC(C12C=CC(O1)C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)OC(=O)C |
Product Overview
(1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate (CAS 433264-83-6), with molecular formula C20H16F3NO7 and molecular weight 439.09 g/mol. IUPAC: [acetyloxy-[1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methyl] acetate.
Chemical Property Profile of (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate
Property Insights of (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate
The XLogP value of 1.9707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate. The TPSA of 99.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate. Following Lipinski's Rule of Five, (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate has 0 hydrogen bond donor(s) and 7 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 (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate?
The CAS number of (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate is 433264-83-6.
What is the molecular formula of (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate?
The molecular formula of (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate is C20H16F3NO7.
What is the molecular weight of (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate?
The molecular weight of (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate is 439.09 g/mol.
Where can I buy (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate?
You can request a quote for (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methylene diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.