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2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione structure
Fine Chemical

2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

TL;DR: 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1022777-73-6) is a chemical compound with molecular formula C25H23N3O5 and molecular weight 445.16376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

Also Known As: 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-(3-(3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

CAS Number
1022777-73-6
Molecular Formula
C25H23N3O5
Molecular Weight
445.16376 g/mol
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Technical Specifications

Molecular FormulaC25H23N3O5
Molecular Weight445.16376 g/mol
XLogP3.9
Topological Polar Surface Area (TPSA)94.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds5
Exact Mass445.16376 Da
Heavy Atoms33
Complexity751.0
SMILESCOC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=CC=C3)N4C(=O)C5C6CCC(C6)C5C4=O)OC
InChIKeyPPTLNUMESRNWKF-UHFFFAOYSA-N

Chemical Property Profile of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

XLogP
3.9
TPSA (Topological Polar Surface Area)
94.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
5
Heavy Atoms
33
Complexity
751.0
Exact Mass
445.16376
Monoisotopic Mass
445.16376
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

The XLogP value of 3.9 indicates that 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 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

What is the CAS number of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?

The CAS number of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1022777-73-6.

What is the molecular formula of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?

The molecular formula of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C25H23N3O5.

What is the molecular weight of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?

The molecular weight of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 445.16376 g/mol.

Where can I buy 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?

You can request a quote for 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?

Yes, CoreyChem provides custom synthesis services for 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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