TL;DR: Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, ethyl ester, cis- (CAS 101492-47-1) is a chemical compound with molecular formula C14H16BrClO3 and molecular weight 345.99713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-ethyl (1R,2R)-2-bromo-2-chloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, ethyl ester, cis-, ethyl (1R,2R)-2-bromo-2-chloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate, Cyclopropanecarboxylicacid,2,2-dichloro-1-(3-nitrophenyl)-,(+), Ethyl (1S,2R)-2-bromo-2-chloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
| Molecular Formula | C14H16BrClO3 |
| Molecular Weight | 345.99713 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.99713 Da |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
| SMILES | CCOC1=CC=C(C=C1)[C@]2(C[C@@]2(Cl)Br)C(=O)OCC |
| InChIKey | NAWGGUYTPANMOZ-KGLIPLIRSA-N |
The XLogP value of 3.7 indicates that Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, ethyl ester, cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, ethyl ester, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, ethyl ester, cis- has 0 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 Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, ethyl ester, cis- is 101492-47-1.
The molecular formula of Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, ethyl ester, cis- is C14H16BrClO3.
The molecular weight of Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, ethyl ester, cis- is 345.99713 g/mol.
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