3-(4-Bromoanilino)-1-phenylpent-2-en-1-one
TL;DR: 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one (CAS 331668-57-6) is a chemical compound with molecular formula C17H16BrNO and molecular weight 329.04153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-bromoanilino)-1-phenylpent-2-en-1-one
Also Known As: 3-(4-bromoanilino)-1-phenyl-2-penten-1-one, 3-(4-bromoanilino)-1-phenylpent-2-en-1-one
Technical Specifications
| Molecular Formula | C17H16BrNO |
| Molecular Weight | 329.04153 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.04153 Da |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
| SMILES | CCC(=CC(=O)C1=CC=CC=C1)NC2=CC=C(C=C2)Br |
| InChIKey | DKBYZZQCTBILSZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one
Property Insights of 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one
The XLogP value of 5.4 indicates that 3-(4-Bromoanilino)-1-phenylpent-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 29.1 Ų, 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one?
The CAS number of 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one is 331668-57-6.
What is the molecular formula of 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one?
The molecular formula of 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one is C17H16BrNO.
What is the molecular weight of 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one?
The molecular weight of 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one is 329.04153 g/mol.
Where can I buy 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one?
You can request a quote for 3-(4-Bromoanilino)-1-phenylpent-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-Bromoanilino)-1-phenylpent-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(4-Bromoanilino)-1-phenylpent-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.