TL;DR: dihydroxy[?]dione (CAS 153998-00-6) is a chemical compound with molecular formula C20H11N3O4 and molecular weight 357.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,19-dihydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Also Known As: dihydroxy[?]dione, Indolocarbazole deriv, 12,13-Dihydro-3,9-dihydroxy-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 7,19-dihydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione, 12,13-Dihydro-3,9-dihydroxy-5H-indole[2,3-a]pyrrolo[3,4-c]carbazoe-5,7-(6H)-dione
| Molecular Formula | C20H11N3O4 |
| Molecular Weight | 357.07495 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 357.07495 Da |
| Heavy Atoms | 27 |
| Complexity | 630.0 |
| SMILES | C1=CC2=C(C=C1O)C3=C4C(=C5C6=C(C=CC(=C6)O)NC5=C3N2)C(=O)NC4=O |
| InChIKey | KMGHWJWAKDGWQX-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dihydroxy[?]dione. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dihydroxy[?]dione. Following Lipinski's Rule of Five, dihydroxy[?]dione has 5 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 dihydroxy[?]dione is 153998-00-6.
The molecular formula of dihydroxy[?]dione is C20H11N3O4.
The molecular weight of dihydroxy[?]dione is 357.07495 g/mol.
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