3-Dimethylamino-2'-nitroacrylophenone
TL;DR: 3-Dimethylamino-2'-nitroacrylophenone (CAS 87488-61-7) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-(2-nitrophenyl)prop-2-en-1-one
Also Known As: 3-(dimethylamino)-1-(2-nitrophenyl)prop-2-en-1-one, 3-(dimethylamino)2'-nitroacrylophenone, 3-(Dimethylamino)-2'-nitroacrylophenone, 3-DIMETHYLAMINO-2'-NITROACRYLOPHENONE, (E)-3-Dimethylamino-1-(2-nitro-phenyl)-propenone
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 87488-61-7 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | JZQFFGQCBWYGLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Dimethylamino-2'-nitroacrylophenone (CAS 87488-61-7), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: 3-(dimethylamino)-1-(2-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of 3-Dimethylamino-2'-nitroacrylophenone
Property Insights of 3-Dimethylamino-2'-nitroacrylophenone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dimethylamino-2'-nitroacrylophenone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Dimethylamino-2'-nitroacrylophenone. Following Lipinski's Rule of Five, 3-Dimethylamino-2'-nitroacrylophenone 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
Frequently Asked Questions
What is the CAS number of 3-Dimethylamino-2'-nitroacrylophenone?
The CAS number of 3-Dimethylamino-2'-nitroacrylophenone is 87488-61-7.
What is the molecular formula of 3-Dimethylamino-2'-nitroacrylophenone?
The molecular formula of 3-Dimethylamino-2'-nitroacrylophenone is C11H12N2O3.
What is the molecular weight of 3-Dimethylamino-2'-nitroacrylophenone?
The molecular weight of 3-Dimethylamino-2'-nitroacrylophenone is 220.08 g/mol.
Where can I buy 3-Dimethylamino-2'-nitroacrylophenone?
You can request a quote for 3-Dimethylamino-2'-nitroacrylophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dimethylamino-2'-nitroacrylophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Dimethylamino-2'-nitroacrylophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.