2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
TL;DR: 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione (CAS 35504-25-7) is a chemical compound with molecular formula C14H12FNO3 and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,7aR)-2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: N-(m-Fluorophenyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboximide, (3ar,4r)-2-(3-fluorophenyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(m-fluorophenyl)-, exo-(Z)-, 2-(3-fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboximide,N-(m-fluorophenyl)-, cis-exo- (8CI)
| Molecular Formula | C14H12FNO3 |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.0801 |
| Heavy Atoms | 19 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 35504-25-7 |
|---|---|
| SMILES | C1CC2C3[C@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC(=CC=C4)F |
| InChIKey | NPACSOMNMYSVDQ-ZYGVAYEYSA-N |
Product Overview
2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione (CAS 35504-25-7), with molecular formula C14H12FNO3 and molecular weight 261.08 g/mol. IUPAC: (7R,7aR)-2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Property Insights of 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 46.6 Ų, 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 4 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 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The CAS number of 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is 35504-25-7.
What is the molecular formula of 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The molecular formula of 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is C14H12FNO3.
What is the molecular weight of 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The molecular weight of 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is 261.08 g/mol.
Where can I buy 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
You can request a quote for 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Fluorophenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.