TL;DR: Auranthine (CAS 1072901-09-7) is a chemical compound with molecular formula C19H14N4O2 and molecular weight 330.11166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),4,6,8,10,17,19,21-octaene-3,16-dione
Also Known As: Auranthine, MEGxm0_000062, ACon0_001423, ACon1_002172, SID:135727634
| Molecular Formula | C19H14N4O2 |
| Molecular Weight | 330.11166 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 74.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.11166 Da |
| Heavy Atoms | 25 |
| Complexity | 670.0 |
| SMILES | C1CC2=NC3=CC=CC=C3C(=O)N2C4=NC5=CC=CC=C5C(=O)NC41 |
| InChIKey | QSYOIPMDADNFRO-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Auranthine. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Auranthine. Following Lipinski's Rule of Five, Auranthine has 1 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 Auranthine is 1072901-09-7.
The molecular formula of Auranthine is C19H14N4O2.
The molecular weight of Auranthine is 330.11166 g/mol.
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