![ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate structure](/static/products/5770/57707-09-2.webp)
ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate
TL;DR: ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate (CAS 57707-09-2) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-nitrophenyl)methylideneamino]benzoate
Also Known As: 2-methyl-2,4-dinitro-pentane, ethyl 4-[(2-nitrobenzylidene)amino]benzoate, ethyl 4-(2-nitrobenzylideneamino)benzoate, ethyl 4-[(2-nitrophenyl)methylideneamino]benzoate, ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 57707-09-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | PVWSWSYITWEMTE-UHFFFAOYSA-N |
Product Overview
ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate (CAS 57707-09-2), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: ethyl 4-[(2-nitrophenyl)methylideneamino]benzoate.
Chemical Property Profile of ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate
Property Insights of ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate
The XLogP value of 3.3 indicates that ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate has 0 hydrogen bond donor(s) and 5 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 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate?
The CAS number of ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate is 57707-09-2.
What is the molecular formula of ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate?
The molecular formula of ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate is C16H14N2O4.
What is the molecular weight of ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate?
The molecular weight of ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate is 298.10 g/mol.
Where can I buy ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate?
You can request a quote for ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(E)-(2-nitrophenyl)methylidene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.