TL;DR: AP-906/41641808 (CAS 1009618-47-6) is a chemical compound with molecular formula C18H20N2O4S2 and molecular weight 392.08646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone
Also Known As: AP-906/41641808, morpholin-4-yl-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone, 3-(4-morpholinylcarbonyl)-2-(2-thienylsulfonyl)-1,2,3,4-tetrahydroisoquinoline, morpholin-4-yl[2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone, morpholino[2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]methanone
| Molecular Formula | C18H20N2O4S2 |
| Molecular Weight | 392.08646 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.08646 Da |
| Heavy Atoms | 26 |
| Complexity | 615.0 |
| SMILES | C1COCCN1C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4 |
| InChIKey | FJWXTXIYCBFCCD-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-906/41641808. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/41641808. Following Lipinski's Rule of Five, AP-906/41641808 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of AP-906/41641808 is 1009618-47-6.
The molecular formula of AP-906/41641808 is C18H20N2O4S2.
The molecular weight of AP-906/41641808 is 392.08646 g/mol.
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