TL;DR: (3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylate (CAS 101492-32-4) is a chemical compound with molecular formula C23H17ClF2O3 and molecular weight 414.08344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylate
Also Known As: (3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylate, 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate, Cyclopropanecarboxylic acid, 1-(4-chlorophenyl)-2,2-difluoro-, (3-phenoxyphenyl)methyl ester, (3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluoro-cyclopropane-1-carboxylate
| Molecular Formula | C23H17ClF2O3 |
| Molecular Weight | 414.08344 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.08344 Da |
| Heavy Atoms | 29 |
| Complexity | 572.0 |
| SMILES | C1C(C1(F)F)(C2=CC=C(C=C2)Cl)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | LDLVHZYVCNNCMJ-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that (3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylate is 101492-32-4.
The molecular formula of (3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylate is C23H17ClF2O3.
The molecular weight of (3-phenoxyphenyl)methyl 1-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylate is 414.08344 g/mol.
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