TL;DR: Fujianmycin A (CAS 1474-72-2) is a chemical compound with molecular formula C19H14O5 and molecular weight 322.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Also Known As: Fujianmycin A, O-Demethylrubiginone A2, KST-1A0060, (3s,4r)-4,8-dihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2h)-trione, (3S,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
| Molecular Formula | C19H14O5 |
| Molecular Weight | 322.08414 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.08414 Da |
| Heavy Atoms | 24 |
| Complexity | 584.0 |
| SMILES | C[C@H]1CC(=O)C2=C([C@@H]1O)C=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)O |
| InChIKey | WWVNIBVFNYKUQY-WNWIJWBNSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fujianmycin A. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Fujianmycin A. Following Lipinski's Rule of Five, Fujianmycin A has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Fujianmycin A is 1474-72-2.
The molecular formula of Fujianmycin A is C19H14O5.
The molecular weight of Fujianmycin A is 322.08414 g/mol.
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