(2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one
TL;DR: (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one (CAS 34929-31-2) 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.
(E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one
Also Known As: 3-(Dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one, (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one, N,N-dimethyl-3-(3-nitrophenyl)acrylamide, (E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one, 3-(dimethylamino)-1-(3-nitrophenyl)-2-propen-1-one
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.8528 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 438.61075 |
Chemical Identifiers
| CAS Number | 34929-31-2 |
|---|---|
| SMILES | CN(C)/C=C/C(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
(2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one (CAS 34929-31-2), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: (E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one
Property Insights of (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one
The XLogP value of 1.8528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one 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 (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one?
The CAS number of (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one is 34929-31-2.
What is the molecular formula of (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one?
The molecular formula of (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one is C11H12N2O3.
What is the molecular weight of (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one?
The molecular weight of (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one is 220.08 g/mol.
Where can I buy (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one?
You can request a quote for (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.