TL;DR: (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane (CAS 120163-22-6) is a chemical compound with molecular formula C10H14BrCl3 and molecular weight 317.93445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane
Also Known As: Telfairin, Tlfairin, (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane, (1S)-2beta,4beta,5alpha-Trichloro-1,5-dimethyl-1beta-[(E)-2-bromoethenyl]cyclohexane, (1S,2S,4R,5R)-1-[(1E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane
| Molecular Formula | C10H14BrCl3 |
| Molecular Weight | 317.93445 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.93445 Da |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
| SMILES | C[C@]1(C[C@@]([C@@H](C[C@@H]1Cl)Cl)(C)Cl)/C=C/Br |
| InChIKey | SXHBUXFDGVTGQV-UKVBZMNQSA-N |
The XLogP value of 4.7 indicates that (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane is 120163-22-6.
The molecular formula of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane is C10H14BrCl3.
The molecular weight of (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane is 317.93445 g/mol.
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