TL;DR: BE 12406B (CAS 132417-97-1) is a chemical compound with molecular formula C24H22O9 and molecular weight 454.12637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,10-dihydroxy-8-methyl-12-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynaphtho[1,2-c]isochromen-6-one
Also Known As: BE 12406B, BE-12406B, Antibiotic BE-12406B, BE-12406 B, 1,10-dihydroxy-8-methyl-12-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynaphtho[1,2-c]isochromen-6-one
| Molecular Formula | C24H22O9 |
| Molecular Weight | 454.12637 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.12637 Da |
| Heavy Atoms | 33 |
| Complexity | 733.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C3C(=C4C(=C2)C5=C(C=C(C=C5O)C)C(=O)O4)C=CC=C3O)O)O)O |
| InChIKey | ZGDUJABECFPJCG-NYPUNPOJSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BE 12406B. The TPSA of 146.0 Ų indicates high polarity, suggesting BE 12406B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BE 12406B has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BE 12406B is 132417-97-1.
The molecular formula of BE 12406B is C24H22O9.
The molecular weight of BE 12406B is 454.12637 g/mol.
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