![Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester structure](/static/products/6114/61144-91-0.webp)
Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester
TL;DR: Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester (CAS 61144-91-0) 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 2-[(4-nitrophenyl)methylideneamino]benzoate
Also Known As: ethyl 2-[(4-nitrophenyl)methylideneamino]benzoate, Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester, Ethyl 2-([(E)-(4-nitrophenyl)methylidene]amino)benzoate, Ethyl 2-([(E)-(4-nitrophenyl)methylidene]amino)benzoate #, Ethyl 2-{(E)-[(4-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 | 61144-91-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | VRURLTHDPDNQPE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester (CAS 61144-91-0), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: ethyl 2-[(4-nitrophenyl)methylideneamino]benzoate.
Chemical Property Profile of Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester
Property Insights of Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester
The XLogP value of 3.3 indicates that Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester 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 Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester 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 Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester?
The CAS number of Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester is 61144-91-0.
What is the molecular formula of Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester?
The molecular formula of Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester is C16H14N2O4.
What is the molecular weight of Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester?
The molecular weight of Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester is 298.10 g/mol.
Where can I buy Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester?
You can request a quote for Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.