1-(4-Bromophenyl)-3-chloroprop-2-en-1-one
TL;DR: 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one (CAS 17306-04-6) is a chemical compound with molecular formula C9H6BrClO and molecular weight 243.92906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)-3-chloroprop-2-en-1-one
Also Known As: ICCB3_000323, 1-(4-bromophenyl)-3-chloroprop-2-en-1-one, 1-(4-Bromophenyl)-3-chloro-2-propen-1-one, 2-Propen-1-one, 1-(4-bromophenyl)-3-chloro-, (2E)-, C9H6BrClO
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6BrClO |
| Molecular Weight | 243.92906 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.92906 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| SMILES | C1=CC(=CC=C1C(=O)C=CCl)Br |
| InChIKey | RXPBSMJSLNBUBZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one
Property Insights of 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one
The XLogP value of 3.2 indicates that 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one 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 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one?
The CAS number of 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one is 17306-04-6.
What is the molecular formula of 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one?
The molecular formula of 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one is C9H6BrClO.
What is the molecular weight of 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one?
The molecular weight of 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one is 243.92906 g/mol.
Where can I buy 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one?
You can request a quote for 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.