TL;DR: Schultesine (CAS 118984-42-2) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,8R,9S,10S,17R)-8-ethenyl-17-hydroxy-9-methyl-18-oxa-4,14-diazatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11(16)-diene-3,15-dione
Also Known As: Schultesine, (4bS,5S,6R,10bR,12R)-6-Ethenyl-12-hydroxy-5-methyl-3,4,4b,5,6,7,8,9,10b,12-decahydro-1H-pyrido[4',3':4,5]pyrano[3,2-h]isoquinoline-1,10(2H)-dione
| Molecular Formula | C18H22N2O4 |
| Molecular Weight | 330.15796 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.15796 Da |
| Heavy Atoms | 24 |
| Complexity | 693.0 |
| SMILES | C[C@H]1[C@H](C2=C([C@H]3[C@@H]1C4=C([C@@H](O3)O)C(=O)NCC4)C(=O)NCC2)C=C |
| InChIKey | YYTINVRXAWFMDO-PPUCBWRKSA-N |
The XLogP value of -0.7 indicates that Schultesine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Schultesine. Following Lipinski's Rule of Five, Schultesine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Schultesine is 118984-42-2.
The molecular formula of Schultesine is C18H22N2O4.
The molecular weight of Schultesine is 330.15796 g/mol.
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