TL;DR: (E)-4,5-Dibromo-6-(diethylamino)-3-methylhex-4-en-3-ol (CAS 100156-22-7) is a chemical compound with molecular formula C11H21Br2NO and molecular weight 340.999 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4,5-dibromo-6-(diethylamino)-3-methylhex-4-en-3-ol
Also Known As: (E)-4,5-Dibromo-6-(diethylamino)-3-methylhex-4-en-3-ol, (E)-4,5-dibromo-6-diethylamino-3-methyl-hex-4-en-3-ol, Propanedinitrile,2,2'-(1-chloro-9,10-anthracenediylidene)bis
| Molecular Formula | C11H21Br2NO |
| Molecular Weight | 340.999 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.999 Da |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
| SMILES | CCC(C)(/C(=C(/CN(CC)CC)\Br)/Br)O |
| InChIKey | UTGLQFJKQZOSNW-MDZDMXLPSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4,5-Dibromo-6-(diethylamino)-3-methylhex-4-en-3-ol. With a topological polar surface area (TPSA) of 23.5 Ų, (E)-4,5-Dibromo-6-(diethylamino)-3-methylhex-4-en-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4,5-Dibromo-6-(diethylamino)-3-methylhex-4-en-3-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-4,5-Dibromo-6-(diethylamino)-3-methylhex-4-en-3-ol is 100156-22-7.
The molecular formula of (E)-4,5-Dibromo-6-(diethylamino)-3-methylhex-4-en-3-ol is C11H21Br2NO.
The molecular weight of (E)-4,5-Dibromo-6-(diethylamino)-3-methylhex-4-en-3-ol is 340.999 g/mol.
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