![ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate structure](/static/products/207/20772-76-3.png)
ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate
TL;DR: ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate (CAS 20772-76-3) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzoate
Also Known As: ethyl 4-[(2-hydroxy-5-nitrobenzylidene)amino]benzoate, (E)-ethyl 4-((2-hydroxy-5-nitrobenzylidene)amino)benzoate, ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate, Ethyl 4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoate, ethyl 4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 3.2277 |
| Topological Polar Surface Area | 102.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 753.566 |
Chemical Identifiers
| CAS Number | 20772-76-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])O |
Product Overview
ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate (CAS 20772-76-3), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: ethyl 4-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzoate.
Chemical Property Profile of ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate
Property Insights of ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate
The XLogP value of 3.2277 indicates that ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate has 1 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 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate?
The CAS number of ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate is 20772-76-3.
What is the molecular formula of ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate?
The molecular formula of ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate is C16H14N2O5.
What is the molecular weight of ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate?
The molecular weight of ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate is 314.09 g/mol.
Where can I buy ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate?
You can request a quote for ethyl 4-{[(E)-(2-hydroxy-5-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-hydroxy-5-nitrophenyl)methylidene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.