3-(4-Nitrophenyl)prop-2-enal
TL;DR: 3-(4-Nitrophenyl)prop-2-enal (CAS 1734-79-8) 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.
3-(4-nitrophenyl)prop-2-enal
Also Known As: 4-Nitrocinnamaldehyde, 3-(4-nitrophenyl)acrylaldehyde, p-Nitrocinnamaldehyde, 2-Propenal, 3-(4-nitrophenyl)-, p-NO2-cinnamaldehyde
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 1734-79-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC=O)[N+](=O)[O-] |
| InChIKey | ALGQVMMYDWQDEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Nitrophenyl)prop-2-enal (CAS 1734-79-8), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 3-(4-nitrophenyl)prop-2-enal.
Chemical Property Profile of 3-(4-Nitrophenyl)prop-2-enal
Property Insights of 3-(4-Nitrophenyl)prop-2-enal
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenyl)prop-2-enal. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)prop-2-enal. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)prop-2-enal 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 3-(4-Nitrophenyl)prop-2-enal?
The CAS number of 3-(4-Nitrophenyl)prop-2-enal is 1734-79-8.
What is the molecular formula of 3-(4-Nitrophenyl)prop-2-enal?
The molecular formula of 3-(4-Nitrophenyl)prop-2-enal is C9H7NO3.
What is the molecular weight of 3-(4-Nitrophenyl)prop-2-enal?
The molecular weight of 3-(4-Nitrophenyl)prop-2-enal is 177.04 g/mol.
Where can I buy 3-(4-Nitrophenyl)prop-2-enal?
You can request a quote for 3-(4-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 3-(4-Nitrophenyl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.