TL;DR: 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione (CAS 1212311-51-7) is a chemical compound with molecular formula C28H21N3O6 and molecular weight 495.14304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-(4-methoxybenzoyl)-14-(3-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Also Known As: 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione, 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3a(2),4a(2):3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
| Molecular Formula | C28H21N3O6 |
| Molecular Weight | 495.14304 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.14304 Da |
| Heavy Atoms | 37 |
| Complexity | 985.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC=C6)[N+](=O)[O-] |
| InChIKey | ARROASCPBJVBSE-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione. Following Lipinski's Rule of Five, 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 1212311-51-7.
The molecular formula of 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is C28H21N3O6.
The molecular weight of 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 495.14304 g/mol.
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