TL;DR: Pyrrolo(1,2-b)isoquinoline, 1,2,3,5,10,10a-hexahydro-8-methoxy- (CAS 82589-54-6) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-methoxy-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline
Also Known As: 8-Methoxy-1,2,3,5,10,10a-hexahydropyrrolo(1,2-b)isoquinoline, Pyrrolo(1,2-b)isoquinoline, 1,2,3,5,10,10a-hexahydro-8-methoxy-, 8-methoxy-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline, NSC 304584, BRN 4437266
| Molecular Formula | C13H17NO |
| Molecular Weight | 203.13101 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.13101 Da |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
| SMILES | COC1=CC2=C(CN3CCCC3C2)C=C1 |
| InChIKey | PJOPXNOWAOAONT-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(1,2-b)isoquinoline, 1,2,3,5,10,10a-hexahydro-8-methoxy-. With a topological polar surface area (TPSA) of 12.5 Ų, Pyrrolo(1,2-b)isoquinoline, 1,2,3,5,10,10a-hexahydro-8-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(1,2-b)isoquinoline, 1,2,3,5,10,10a-hexahydro-8-methoxy- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrrolo(1,2-b)isoquinoline, 1,2,3,5,10,10a-hexahydro-8-methoxy- is 82589-54-6.
The molecular formula of Pyrrolo(1,2-b)isoquinoline, 1,2,3,5,10,10a-hexahydro-8-methoxy- is C13H17NO.
The molecular weight of Pyrrolo(1,2-b)isoquinoline, 1,2,3,5,10,10a-hexahydro-8-methoxy- is 203.13101 g/mol.
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