TL;DR: BcPhde (CAS 82510-56-3) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Also Known As: BcPhde, (-)-syn-BPhDE, (-)-syn-B[c]PDE, (-)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide-1, (-)-syn-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide
| Molecular Formula | C18H14O3 |
| Molecular Weight | 278.0943 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 Da |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)[C@H]([C@@H]([C@@H]5[C@H]4O5)O)O |
| InChIKey | QGMAOLZIDYVIDK-VSZNYVQBSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BcPhde. With a topological polar surface area (TPSA) of 53.0 Ų, BcPhde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BcPhde has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BcPhde is 82510-56-3.
The molecular formula of BcPhde is C18H14O3.
The molecular weight of BcPhde is 278.0943 g/mol.
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