TL;DR: [3-(4-Chlorophenyl)oxiran-2-yl](phenyl)methanone (CAS 106710-53-6) is a chemical compound with molecular formula C15H11ClO2 and molecular weight 258.04477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone
Also Known As: [3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone|2-Benzoyl-3-(4-chlorophenyl)oxirane|KST-1A0470|KS-000031VX|3-(4-Chlorophenyl)-2-benzoyloxirane|(3-(4-chlorophenyl)oxiran-2-yl)(phenyl)methanone|[3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone|[3-(4-Chlorophenyl)oxiranyl]phenyl ketone|Phenyl[3-(4-chlorophenyl)oxiranyl] ketone|Methanone, [3-(4-chlorophenyl)oxiranyl]phenyl-|[3-(4-chlorophenyl)-2-oxiranyl](phenyl)methanone|[3-(4-Chlorophenyl)oxiran-2-yl]phenyl ketone|1D-038|Methanone, (3-(4-chlorophenyl)oxiranyl)phenyl-|Phenyl[3-(4-chlorophenyl)oxirane-2-yl]methanone|Methanone,[3-(4-chlorophenyl)-2-oxiranyl]phenyl-|1-Phenyl-2,3-epoxy-3-(4-chlorophenyl)-1-propanone|QZHVIBAUHZWGCS-UHFFFAOYSA-N|NSC66228
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H11ClO2 |
| Molecular Weight | 258.04477 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.04477 Da |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2C(O2)C3=CC=C(C=C3)Cl |
| InChIKey | QZHVIBAUHZWGCS-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that [3-(4-Chlorophenyl)oxiran-2-yl](phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.6 Ų, [3-(4-Chlorophenyl)oxiran-2-yl](phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(4-Chlorophenyl)oxiran-2-yl](phenyl)methanone has 0 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 [3-(4-Chlorophenyl)oxiran-2-yl](phenyl)methanone is 106710-53-6.
The molecular formula of [3-(4-Chlorophenyl)oxiran-2-yl](phenyl)methanone is C15H11ClO2.
The molecular weight of [3-(4-Chlorophenyl)oxiran-2-yl](phenyl)methanone is 258.04477 g/mol.
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