TL;DR: (3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one (CAS 142350-88-7) is a chemical compound with molecular formula C10H8BrIO and molecular weight 349.88034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-4-bromo-4-iodo-3-phenylbut-3-en-2-one
Also Known As: (Z)-4-bromo-4-iodo-3-phenyl-3-buten-2-one, 4-bromo-4-iodo-3-phenylbut-3-en-2-one, (3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one, (Z)-4-bromo-4-iodo-3-phenylbut-3-en-2-one, (3Z)-4-Bromo-4-iodo-3-phenylbut-3-en-2-one
| Molecular Formula | C10H8BrIO |
| Molecular Weight | 349.88034 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.88034 Da |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
| SMILES | CC(=O)/C(=C(/Br)\I)/C1=CC=CC=C1 |
| InChIKey | HFETZVUWYDOJFD-MDZDMXLPSA-N |
The XLogP value of 3.2 indicates that (3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one 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 (3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one is 142350-88-7.
The molecular formula of (3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one is C10H8BrIO.
The molecular weight of (3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one is 349.88034 g/mol.
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