![Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate structure](/static/products/930/93081-90-4.png)
Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate
TL;DR: Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate (CAS 93081-90-4) is a chemical compound with molecular formula C16H17NO6 and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate
Also Known As: 2-Propenoic acid, 3,3'-(2-nitro-1,4-phenylene)bis-, diethyl, ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate
| Molecular Formula | C16H17NO6 |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 2.7474 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.1056 |
| Heavy Atoms | 23 |
| Complexity | 647.9706 |
Chemical Identifiers
| CAS Number | 93081-90-4 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC(=C(C=C1)C=CC(=O)OCC)[N+](=O)[O-] |
Product Overview
Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate (CAS 93081-90-4), with molecular formula C16H17NO6 and molecular weight 319.11 g/mol. IUPAC: ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate.
Chemical Property Profile of Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate
Property Insights of Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate
The XLogP value of 2.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate has 0 hydrogen bond donor(s) and 6 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 Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate?
The CAS number of Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate is 93081-90-4.
What is the molecular formula of Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate?
The molecular formula of Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate is C16H17NO6.
What is the molecular weight of Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate?
The molecular weight of Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate is 319.11 g/mol.
Where can I buy Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate?
You can request a quote for Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-nitrophenyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.