TL;DR: (1'S,2'S,3'S,10b'R)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)-3',10b'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolin]-2-one (CAS 1177582-81-8) is a chemical compound with molecular formula C32H23BrN2O5 and molecular weight 594.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2'S,3S,3'S,10'bR)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)spiro[1H-indole-3,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one
Also Known As: (1'S,2'S,3'S,10b'R)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)-3',10b'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolin]-2-one, (2'S,3S,3'S,10'bR)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)spiro[1H-indole-3,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one, (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-(furan-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
| Molecular Formula | C32H23BrN2O5 |
| Molecular Weight | 594.07904 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 594.07904 Da |
| Heavy Atoms | 40 |
| Complexity | 1070.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)[C@@H]2[C@H]([C@@]3([C@@H]4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=CO7)Br |
| InChIKey | NFKGQUHROMNXNO-DJLQPTFLSA-N |
The XLogP value of 5.2 indicates that (1'S,2'S,3'S,10b'R)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)-3',10b'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolin]-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'S,2'S,3'S,10b'R)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)-3',10b'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolin]-2-one. Following Lipinski's Rule of Five, (1'S,2'S,3'S,10b'R)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)-3',10b'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolin]-2-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1'S,2'S,3'S,10b'R)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)-3',10b'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolin]-2-one is 1177582-81-8.
The molecular formula of (1'S,2'S,3'S,10b'R)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)-3',10b'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolin]-2-one is C32H23BrN2O5.
The molecular weight of (1'S,2'S,3'S,10b'R)-3'-(3-bromo-4-methoxybenzoyl)-2'-(furan-2-carbonyl)-3',10b'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolin]-2-one is 594.07904 g/mol.
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