TL;DR: 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-nitrophenyl)- (CAS 113817-50-8) is a chemical compound with molecular formula C15H10N2O6 and molecular weight 314.0539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(2-nitrophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
Also Known As: 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-nitrophenyl)-, 5,8-Dihydro-8-(2-nitrophenyl)-1H,3H-difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 8-(2-Nitrophenyl)-5,8-dihydro-1H,3H-difuro[3,4-b:3',4'-e]pyridine-1,7(4H)-dione, 4,5,7,8-Tetrahydro-8-(2-nitrophenyl)-1H,3H-difuro[3,4-b:3 ,4 -e]pyridine-1,7-dione, 8-(2-nitrophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
| Molecular Formula | C15H10N2O6 |
| Molecular Weight | 314.0539 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.0539 Da |
| Heavy Atoms | 23 |
| Complexity | 634.0 |
| SMILES | C1C2=C(C(C3=C(N2)COC3=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)O1 |
| InChIKey | TYSVAHLSIMJJSY-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-nitrophenyl)-. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-nitrophenyl)-. Following Lipinski's Rule of Five, 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-nitrophenyl)- has 1 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 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-nitrophenyl)- is 113817-50-8.
The molecular formula of 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-nitrophenyl)- is C15H10N2O6.
The molecular weight of 1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2-nitrophenyl)- is 314.0539 g/mol.
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