trans-4'-Dimethylamino-4-nitrochalcone
TL;DR: trans-4'-Dimethylamino-4-nitrochalcone (CAS 1234-17-9) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[4-(dimethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one
Also Known As: trans-4'-Dimethylamino-4-nitrochalcone, trans-4 -Dimethylamino-4-nitrochalcone, 4 -Dimethylamino-4-nitro-trans-chalcone, 4 -(Dimethylamino)-4-nitro-trans-chalcone, J1.386.482I
Technical Specifications
| Molecular Formula | C17H16N2O3 |
| Molecular Weight | 296.1161 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.1161 Da |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | GUTSWDYMYNLJEK-LFYBBSHMSA-N |
Chemical Property Profile of trans-4'-Dimethylamino-4-nitrochalcone
Property Insights of trans-4'-Dimethylamino-4-nitrochalcone
The XLogP value of 3.6 indicates that trans-4'-Dimethylamino-4-nitrochalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-4'-Dimethylamino-4-nitrochalcone. Following Lipinski's Rule of Five, trans-4'-Dimethylamino-4-nitrochalcone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of trans-4'-Dimethylamino-4-nitrochalcone?
The CAS number of trans-4'-Dimethylamino-4-nitrochalcone is 1234-17-9.
What is the molecular formula of trans-4'-Dimethylamino-4-nitrochalcone?
The molecular formula of trans-4'-Dimethylamino-4-nitrochalcone is C17H16N2O3.
What is the molecular weight of trans-4'-Dimethylamino-4-nitrochalcone?
The molecular weight of trans-4'-Dimethylamino-4-nitrochalcone is 296.1161 g/mol.
Where can I buy trans-4'-Dimethylamino-4-nitrochalcone?
You can request a quote for trans-4'-Dimethylamino-4-nitrochalcone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-4'-Dimethylamino-4-nitrochalcone?
Yes, CoreyChem provides custom synthesis services for trans-4'-Dimethylamino-4-nitrochalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.