TL;DR: trans-1-Hydroxy-7-methoxy-2-methylaminomitosene (CAS 62697-39-6) is a chemical compound with molecular formula C16H19N3O6 and molecular weight 349.12738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R)-3-hydroxy-6-methoxy-7-methyl-2-(methylamino)-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
Also Known As: trans-1-Hydroxy-7-methoxy-2-methylaminomitosene, cis-1-Hydroxy-7-methoxy-2-methylaminomitosene, 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,3-dihydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-2-(methylamino)-, 9-carbamate, (E)-, [(1R,2S)-1-Hydroxy-7-methoxy-6-methyl-2-(methylamino)-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate, [(2S,3R)-3-hydroxy-6-methoxy-7-methyl-2-(methylamino)-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
| Molecular Formula | C16H19N3O6 |
| Molecular Weight | 349.12738 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.12738 Da |
| Heavy Atoms | 25 |
| Complexity | 648.0 |
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]([C@H](C3=C2COC(=O)N)O)NC)OC |
| InChIKey | KEDRKYOEEMEGGD-ISVAXAHUSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1-Hydroxy-7-methoxy-2-methylaminomitosene. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-1-Hydroxy-7-methoxy-2-methylaminomitosene. Following Lipinski's Rule of Five, trans-1-Hydroxy-7-methoxy-2-methylaminomitosene has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of trans-1-Hydroxy-7-methoxy-2-methylaminomitosene is 62697-39-6.
The molecular formula of trans-1-Hydroxy-7-methoxy-2-methylaminomitosene is C16H19N3O6.
The molecular weight of trans-1-Hydroxy-7-methoxy-2-methylaminomitosene is 349.12738 g/mol.
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