3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one
TL;DR: 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one (CAS 114647-83-5) is a chemical compound with molecular formula C12H11ClO2 and molecular weight 222.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one
Also Known As: 3-(4-chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one, (E)-3-(4-chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one, (2E)-3-(4-chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.04475 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.04475 Da |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
| SMILES | CC1(CO1)C(=O)/C=C/C2=CC=C(C=C2)Cl |
| InChIKey | FTICWRZAOPJWHT-QPJJXVBHSA-N |
Chemical Property Profile of 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one
Property Insights of 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one. With a topological polar surface area (TPSA) of 29.6 Ų, 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one?
The CAS number of 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one is 114647-83-5.
What is the molecular formula of 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one?
The molecular formula of 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one is C12H11ClO2.
What is the molecular weight of 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one?
The molecular weight of 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one is 222.04475 g/mol.
Where can I buy 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one?
You can request a quote for 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(4-Chlorophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.