Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate
TL;DR: Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate (CAS 21646-74-2) is a chemical compound with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate
Also Known As: ethyl 2-nitro-3-(4-nitrophenyl)acrylate, ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate, ethyl 2-nitro-3-(4-nitrophenyl)propenoate, 1-nitro-2-(4-nitrophenyl)-1-ethoxycarbonylethene
| Molecular Formula | C11H10N2O6 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 1.7755 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.0539 |
| Heavy Atoms | 19 |
| Complexity | 534.62134 |
Chemical Identifiers
| CAS Number | 21646-74-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate (CAS 21646-74-2), with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol. IUPAC: ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate
Property Insights of Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate
The XLogP value of 1.7755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-nitro-3-(4-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 2-nitro-3-(4-nitrophenyl)prop-2-enoate?
The CAS number of Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate is 21646-74-2.
What is the molecular formula of Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate?
The molecular formula of Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate is C11H10N2O6.
What is the molecular weight of Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate?
The molecular weight of Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate is 266.05 g/mol.
Where can I buy Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate?
You can request a quote for Ethyl 2-nitro-3-(4-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 2-nitro-3-(4-nitrophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-nitro-3-(4-nitrophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.