2-Chloro-3-phenylprop-2-enal
TL;DR: 2-Chloro-3-phenylprop-2-enal (CAS 18365-42-9) is a chemical compound with molecular formula C9H7ClO and molecular weight 166.01854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-phenylprop-2-enal
Also Known As: alpha-Chlorocinnamaldehyde, Chlorzimtaldehyd, chlorocinnamaldehyde, 2-chloro-3-phenylprop-2-enal, alpha-chloro-cinnamaldehyde
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.01854 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.01854 Da |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| SMILES | C1=CC=C(C=C1)C=C(C=O)Cl |
| InChIKey | SARRRAKOHPKFBW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-3-phenylprop-2-enal
Property Insights of 2-Chloro-3-phenylprop-2-enal
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-phenylprop-2-enal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chloro-3-phenylprop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-phenylprop-2-enal has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-3-phenylprop-2-enal?
The CAS number of 2-Chloro-3-phenylprop-2-enal is 18365-42-9.
What is the molecular formula of 2-Chloro-3-phenylprop-2-enal?
The molecular formula of 2-Chloro-3-phenylprop-2-enal is C9H7ClO.
What is the molecular weight of 2-Chloro-3-phenylprop-2-enal?
The molecular weight of 2-Chloro-3-phenylprop-2-enal is 166.01854 g/mol.
Where can I buy 2-Chloro-3-phenylprop-2-enal?
You can request a quote for 2-Chloro-3-phenylprop-2-enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-3-phenylprop-2-enal?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-3-phenylprop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.