(2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal
TL;DR: (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal (CAS 53868-36-3) 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.
(Z)-3-(dimethylamino)-2-(2-nitrophenyl)prop-2-enal
Also Known As: 3-(dimethylamino)-2-(2-nitrophenyl)acrylaldehyde, (Z)-3-(dimethylamino)-2-(2-nitrophenyl)prop-2-enal, 3-(dimethylamino)-2-(2-nitrophenyl)prop-2-enal, (2Z)-3-(dimethylamino)-2-(2-nitrophenyl)prop-2-enal, 3-(Dimethylamino)-2-(2-nitrophenyl)propenal
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.6962 |
| 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 | 53868-36-3 |
|---|---|
| SMILES | CN(C)/C=C(\C=O)/C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
(2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal (CAS 53868-36-3), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: (Z)-3-(dimethylamino)-2-(2-nitrophenyl)prop-2-enal.
Chemical Property Profile of (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal
Property Insights of (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal
The XLogP value of 1.6962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal. Following Lipinski's Rule of Five, (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal 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 (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal?
The CAS number of (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal is 53868-36-3.
What is the molecular formula of (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal?
The molecular formula of (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal is C11H12N2O3.
What is the molecular weight of (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal?
The molecular weight of (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal is 220.08 g/mol.
Where can I buy (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal?
You can request a quote for (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-(Dimethylamino)-2-(2-nitrophenyl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.