3-(4-Nitrophenoxy)prop-2-enal
TL;DR: 3-(4-Nitrophenoxy)prop-2-enal (CAS 86030-90-2) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenoxy)prop-2-enal
Also Known As: 3-(p-Nitrophenoxy)acrolein, 3-(4-Nitrophenoxy)acrolein, beta-(p-Nitrophenoxy)acrolein, 2-Propenal, 3-(4-nitrophenoxy)-, (3-2H)-3-(p-Nitrophenoxy)acrolein
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 86030-90-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC=CC=O |
| InChIKey | WKWGELXRYFZNDN-UHFFFAOYSA-N |
Product Overview
3-(4-Nitrophenoxy)prop-2-enal (CAS 86030-90-2), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 3-(4-nitrophenoxy)prop-2-enal.
Chemical Property Profile of 3-(4-Nitrophenoxy)prop-2-enal
Property Insights of 3-(4-Nitrophenoxy)prop-2-enal
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenoxy)prop-2-enal. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenoxy)prop-2-enal. Following Lipinski's Rule of Five, 3-(4-Nitrophenoxy)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 3-(4-Nitrophenoxy)prop-2-enal?
The CAS number of 3-(4-Nitrophenoxy)prop-2-enal is 86030-90-2.
What is the molecular formula of 3-(4-Nitrophenoxy)prop-2-enal?
The molecular formula of 3-(4-Nitrophenoxy)prop-2-enal is C9H7NO4.
What is the molecular weight of 3-(4-Nitrophenoxy)prop-2-enal?
The molecular weight of 3-(4-Nitrophenoxy)prop-2-enal is 193.04 g/mol.
Where can I buy 3-(4-Nitrophenoxy)prop-2-enal?
You can request a quote for 3-(4-Nitrophenoxy)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-Nitrophenoxy)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenoxy)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.