(3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1008259-73-1) is a chemical compound with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-cyclohexylidene-4-(4-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C21H20N2O4 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 3.7769 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.1423 |
| Heavy Atoms | 27 |
| Complexity | 872.6142 |
Chemical Identifiers
| CAS Number | 1008259-73-1 |
|---|---|
| SMILES | C1CCC(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-])CC1 |
Product Overview
(3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1008259-73-1), with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol. IUPAC: 10-cyclohexylidene-4-(4-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 3.7769 indicates that (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-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 (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-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 (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1008259-73-1.
What is the molecular formula of (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C21H20N2O4.
What is the molecular weight of (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 364.14 g/mol.
Where can I buy (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-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 (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4R,7S,7aS)-8-cyclohexylidene-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.