1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
TL;DR: 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one (CAS 163852-04-8) is a chemical compound with molecular formula C11H12BrNO and molecular weight 253.01022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one, 1-(3-Bromophenyl)-3-dimethylaminopropenone, (E)-1-(3-BROMOPHENYL)-3-DIMETHYLAMINOPROPENONE, 1-(3-Bromophenyl)-3-(dimethylamino)-2-propen-1-one, (E)-1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C11H12BrNO |
| Molecular Weight | 253.01022 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.01022 Da |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| SMILES | CN(C)C=CC(=O)C1=CC(=CC=C1)Br |
| InChIKey | FBICCVMQKCGCST-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
Property Insights of 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-bromophenyl)-3-(dimethylamino)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 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one?
The CAS number of 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one is 163852-04-8.
What is the molecular formula of 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one?
The molecular formula of 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one is C11H12BrNO.
What is the molecular weight of 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one?
The molecular weight of 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one is 253.01022 g/mol.
Where can I buy 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one?
You can request a quote for 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.