4-Nitrocinnamaldehyde
TL;DR: 4-Nitrocinnamaldehyde (CAS 49678-08-2) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-nitrophenyl)prop-2-enal
Also Known As: 4-Nitrocinnamaldehyde, 3-(4-nitrophenyl)acrylaldehyde, p-Nitrocinnamaldehyde, trans-4-Nitrocinnamaldehyde, (E)-3-(4-nitrophenyl)acrylaldehyde
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.8069 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 340.3824 |
Chemical Identifiers
| CAS Number | 49678-08-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C=O)[N+](=O)[O-] |
Product Overview
4-Nitrocinnamaldehyde (CAS 49678-08-2), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: (E)-3-(4-nitrophenyl)prop-2-enal.
Chemical Property Profile of 4-Nitrocinnamaldehyde
Property Insights of 4-Nitrocinnamaldehyde
The XLogP value of 1.8069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrocinnamaldehyde. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrocinnamaldehyde. Following Lipinski's Rule of Five, 4-Nitrocinnamaldehyde has 0 hydrogen bond donor(s) and 3 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 4-Nitrocinnamaldehyde?
The CAS number of 4-Nitrocinnamaldehyde is 49678-08-2.
What is the molecular formula of 4-Nitrocinnamaldehyde?
The molecular formula of 4-Nitrocinnamaldehyde is C9H7NO3.
What is the molecular weight of 4-Nitrocinnamaldehyde?
The molecular weight of 4-Nitrocinnamaldehyde is 177.04 g/mol.
Where can I buy 4-Nitrocinnamaldehyde?
You can request a quote for 4-Nitrocinnamaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrocinnamaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrocinnamaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.