TL;DR: DU 86 (CAS 153925-97-4) is a chemical compound with molecular formula C26H25N3O7 and molecular weight 491.16925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,12S)-4-methyl-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate
Also Known As: DU 86, 1,2,4,5,8,8a-hexahydro-6-methyl-4-oxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-cyclopropa(c)pyrrolo(3,2-e)indole-7-carboxylic acid methyl ester, Methyl (1R,12S)-4-methyl-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate, (7bR)-1,2,4,5,8,8abeta-Hexahydro-6-methyl-4-oxo-2-(5,6,7-trimethoxy-1H-indole-2-ylcarbonyl)cyclopropa[c]pyrrolo[3,2-e]indole-7-carboxylic acid methyl ester, (7bR,8aS)-1,2,4,5,8,8abeta-Hexahydro-6-methyl-4-oxo-2-(5,6,7-trimethoxy-1H-indol-2-ylcarbonyl)cyclopropa[c]pyrrolo[3,2-e]indole-7-carboxylic acid methyl ester
| Molecular Formula | C26H25N3O7 |
| Molecular Weight | 491.16925 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.16925 Da |
| Heavy Atoms | 36 |
| Complexity | 1000.0 |
| SMILES | CC1=C(C2=C(N1)C(=O)C=C3[C@@]24C[C@@H]4CN3C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)C(=O)OC |
| InChIKey | YTGSKSUJQQNWRS-SRGMZFCMSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DU 86. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DU 86. Following Lipinski's Rule of Five, DU 86 has 2 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 DU 86 is 153925-97-4.
The molecular formula of DU 86 is C26H25N3O7.
The molecular weight of DU 86 is 491.16925 g/mol.
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