2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1022733-36-3) is a chemical compound with molecular formula C23H18N4O5 and molecular weight 430.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-{4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C23H18N4O5 |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 3.8473 |
| Topological Polar Surface Area | 119.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.12772 |
| Heavy Atoms | 32 |
| Complexity | 1222.151 |
Chemical Identifiers
| CAS Number | 1022733-36-3 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C5=NC(=NO5)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1022733-36-3), with molecular formula C23H18N4O5 and molecular weight 430.13 g/mol. IUPAC: 4-[4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 3.8473 indicates that 2-(4-(3-(4-nitrophenyl)-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 119.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-(3-(4-nitrophenyl)-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
Frequently Asked Questions
What is the CAS number of 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1022733-36-3.
What is the molecular formula of 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C23H18N4O5.
What is the molecular weight of 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 430.13 g/mol.
Where can I buy 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 2-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-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-(4-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(3-(4-nitrophenyl)-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.