TL;DR: CCRIS 7428 (CAS 118354-49-7) is a chemical compound with molecular formula C14H15BrO and molecular weight 278.03064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1aS,1bS,5aS,9bR)-8-bromo-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
Also Known As: (4abeta,9alpha,10alpha)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene, (1aS,1bS,5aS,9bR)-8-bromo-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene, CCRIS 7428
| Molecular Formula | C14H15BrO |
| Molecular Weight | 278.03064 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.03064 Da |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
| SMILES | C1CC[C@H]2[C@H](C1)[C@H]3[C@H](O3)C4=C2C=CC(=C4)Br |
| InChIKey | MIDVMZDXCQOCLI-DGFQIJBJSA-N |
The XLogP value of 4.0 indicates that CCRIS 7428 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, CCRIS 7428 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CCRIS 7428 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of CCRIS 7428 is 118354-49-7.
The molecular formula of CCRIS 7428 is C14H15BrO.
The molecular weight of CCRIS 7428 is 278.03064 g/mol.
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