TL;DR: 2,7-Diamino-4,9-dihydroxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene (CAS 58996-11-5) is a chemical compound with molecular formula C14H10N4O4 and molecular weight 298.0702 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,13-diamino-2,9-dihydroxy-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Also Known As: DDDTDP, 2,7-Diamino-4,9-dihydro-4,9-dihydroxypyrido(2,3,4,5-lmn)phenanthridine-5,10-dione, 2,7-diamino-4,9-dihydroxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene, Pyrido(2,3,4,5-lmn)phenanthridine-5,10-dione, 2,7-diamino-4,9-dihydro-4,9-dihydroxy-, 2,7-Diamino-4,9-dihydroxy-4,9-diazapyrene-5,10(4H,9H)-dione
| Molecular Formula | C14H10N4O4 |
| Molecular Weight | 298.0702 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.0702 Da |
| Heavy Atoms | 22 |
| Complexity | 483.0 |
| SMILES | C1=C(C=C2C3=C1C(=O)N(C4=CC(=CC(=C43)C(=O)N2O)N)O)N |
| InChIKey | HCBUDRIKLCCMEY-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 2,7-Diamino-4,9-dihydroxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-Diamino-4,9-dihydroxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene. Following Lipinski's Rule of Five, 2,7-Diamino-4,9-dihydroxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,7-Diamino-4,9-dihydroxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene is 58996-11-5.
The molecular formula of 2,7-Diamino-4,9-dihydroxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene is C14H10N4O4.
The molecular weight of 2,7-Diamino-4,9-dihydroxy-5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene is 298.0702 g/mol.
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