2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 489452-23-5) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 10-(methylethylidene)-4-(3-nitrophenyl)-4-azatricyclo[5.2.1.0<2,6>]decane-3,5- dione, 4-(3-nitrophenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione, 4-{3-nitrophenyl}-10-(1-methylethylidene)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione, 8-ISOPROPYLIDENE-2-(3-NITROPHENYL)HEXAHYDRO-1H-4,7-METHANOISOINDOLE-1,3(2H)-DIONE
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 3.0766 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 776.9917 |
Chemical Identifiers
| CAS Number | 489452-23-5 |
|---|---|
| SMILES | CC(=C1C2CCC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C |
Product Overview
2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 489452-23-5), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 4-(3-nitrophenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 3.0766 indicates that 2-(3-nitrophenyl)-8-(propan-2-ylidene)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 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-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-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 489452-23-5.
What is the molecular formula of 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C18H18N2O4.
What is the molecular weight of 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 326.13 g/mol.
Where can I buy 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 2-(3-nitrophenyl)-8-(propan-2-ylidene)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-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.