Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate
TL;DR: Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate (CAS 73713-67-4) 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-[(3-nitrophenyl)methylideneamino]benzoate
Also Known As: Ethyl 4-(m-nitrobenzylidene)aminobenzoate, Benzoic acid, ethyl ester, p-(m-Nitrobenzylidene)aminobenzoic acid ethyl ester, ethyl 4-[(3-nitrophenyl)methylideneamino]benzoate, Ethyl 4-((3-nitrobenzylidene)amino)benzoate
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 3.7 |
| 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 | 73713-67-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | CFHPLYRQKPLRNN-UHFFFAOYSA-N |
Product Overview
Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate (CAS 73713-67-4), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: ethyl 4-[(3-nitrophenyl)methylideneamino]benzoate.
Chemical Property Profile of Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate
Property Insights of Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate
The XLogP value of 3.7 indicates that Ethyl 4-((3-nitrophenyl)methylideneamino)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-((3-nitrophenyl)methylideneamino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-((3-nitrophenyl)methylideneamino)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-((3-nitrophenyl)methylideneamino)benzoate?
The CAS number of Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate is 73713-67-4.
What is the molecular formula of Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate?
The molecular formula of Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate is C16H14N2O4.
What is the molecular weight of Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate?
The molecular weight of Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate is 298.10 g/mol.
Where can I buy Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate?
You can request a quote for Ethyl 4-((3-nitrophenyl)methylideneamino)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-((3-nitrophenyl)methylideneamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.