TL;DR: Cineromycin B (CAS 11033-23-1) is a chemical compound with molecular formula C17H26O4 and molecular weight 294.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z,5R,6Z,8S,9Z,13S,14R)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
Also Known As: Cineromycin B, 7-O-Demethylalbocycline, (3Z,5R,6Z,8S,9Z,13S,14R)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
| Molecular Formula | C17H26O4 |
| Molecular Weight | 294.1831 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.1831 Da |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
| SMILES | C[C@H]1CC/C=C(\[C@H](/C=C\[C@@](/C=C\C(=O)O[C@@H]1C)(C)O)O)/C |
| InChIKey | RLNOIXQIRICASI-HTNMZXOESA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cineromycin B. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cineromycin B. Following Lipinski's Rule of Five, Cineromycin B has 2 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 Cineromycin B is 11033-23-1.
The molecular formula of Cineromycin B is C17H26O4.
The molecular weight of Cineromycin B is 294.1831 g/mol.
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