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Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate
TL;DR: Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate (CAS 64260-92-0) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-nitrophenyl)methylamino]benzoate
Also Known As: ethyl 4-[(3-nitrophenyl)methylamino]benzoate, Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 64260-92-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | AMQQAAGNLXOYRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate (CAS 64260-92-0), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: ethyl 4-[(3-nitrophenyl)methylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate
Property Insights of Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate
The XLogP value of 3.4 indicates that Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate has 1 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)methyl]amino}benzoate?
The CAS number of Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate is 64260-92-0.
What is the molecular formula of Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate is C16H16N2O4.
What is the molecular weight of Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate is 300.11 g/mol.
Where can I buy Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(3-nitrophenyl)methyl]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-{[(3-nitrophenyl)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.