TL;DR: 8-[(2,4-dichlorophenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione (CAS 1217723-31-3) is a chemical compound with molecular formula C27H18Cl2N2O3 and molecular weight 488.06946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Also Known As: 8-[(2,4-dichlorophenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione, 8-(2,4-Dichlorobenzoyl)-11a,11b-dihydro-10-phenyl-8H-pyrrolo[3a(2),4a(2):3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
| Molecular Formula | C27H18Cl2N2O3 |
| Molecular Weight | 488.06946 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 488.06946 Da |
| Heavy Atoms | 34 |
| Complexity | 887.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=C(C=C(C=C6)Cl)Cl |
| InChIKey | VNJHCJMWQXBDRG-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 8-[(2,4-dichlorophenyl)carbonyl]-10-phenyl-11a,11b-dihydro-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. With a topological polar surface area (TPSA) of 57.7 Ų, 8-[(2,4-dichlorophenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-[(2,4-dichlorophenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-[(2,4-dichlorophenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 1217723-31-3.
The molecular formula of 8-[(2,4-dichlorophenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is C27H18Cl2N2O3.
The molecular weight of 8-[(2,4-dichlorophenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 488.06946 g/mol.
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