7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-
TL;DR: 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)- (CAS 29745-05-9) 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.
(3aS,4R,7S,7aR)-2-(2-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: N-(o-Fluorophenyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboximide, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-, 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 2-(2-fluorophenyl)hexahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-, RefChem:1074525, BRN 4522268
| 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 | 29745-05-9 |
|---|---|
| SMILES | C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC=CC=C4F |
| InChIKey | KEKIUNPUASPCRU-BKUVIOGVSA-N |
Product Overview
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)- (CAS 29745-05-9), with molecular formula C14H12FNO3 and molecular weight 261.08 g/mol. IUPAC: (3aS,4R,7S,7aR)-2-(2-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-
Property Insights of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-. With a topological polar surface area (TPSA) of 46.6 Ų, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)- 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 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-?
The CAS number of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)- is 29745-05-9.
What is the molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-?
The molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)- is C14H12FNO3.
What is the molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-?
The molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)- is 261.08 g/mol.
Where can I buy 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-?
You can request a quote for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)-?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(o-fluorophenyl)-, exo-(Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.