TL;DR: 10-nitro-5,7-diphenyl-1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinoline (CAS 133520-14-6) is a chemical compound with molecular formula C27H25N3O2 and molecular weight 423.19467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-nitro-7,9-diphenyl-10,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11(16),12,14-tetraene
Also Known As: 10-nitro-5,7-diphenyl-1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinoline, 10-nitro-5,7-diphenyl-2,3,4,4a,5,13-hexahydro-1H-benzo[4,5]imidazo[2,1-j]quinoline
| Molecular Formula | C27H25N3O2 |
| Molecular Weight | 423.19467 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.19467 Da |
| Heavy Atoms | 32 |
| Complexity | 736.0 |
| SMILES | C1CCC23C(C1)C(C=C(N2C4=C(N3)C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | BTGZMYYPTSGPIQ-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that 10-nitro-5,7-diphenyl-1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-nitro-5,7-diphenyl-1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinoline. Following Lipinski's Rule of Five, 10-nitro-5,7-diphenyl-1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinoline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 10-nitro-5,7-diphenyl-1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinoline is 133520-14-6.
The molecular formula of 10-nitro-5,7-diphenyl-1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinoline is C27H25N3O2.
The molecular weight of 10-nitro-5,7-diphenyl-1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinoline is 423.19467 g/mol.
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