(E)-methyl 4-(4-nitrobenzylideneamino)benzoate
TL;DR: (E)-methyl 4-(4-nitrobenzylideneamino)benzoate (CAS 1343462-95-2) is a chemical compound with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-nitrophenyl)methylideneamino]benzoate
Also Known As: methyl 4-[(4-nitrobenzylidene)amino]benzoate, (E)-methyl 4-(4-nitrobenzylideneamino)benzoate, methyl 4-[(4-nitrophenyl)methylideneamino]benzoate, 4-[(4-Nitrobenzylidene)amino]benzoic acid methyl ester, methyl 4-{[(E)-(4-nitrophenyl)methylidene]amino}benzoate
| Molecular Formula | C15H12N2O4 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0797 |
| Heavy Atoms | 21 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 1343462-95-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KGELAANLLIAOIX-UHFFFAOYSA-N |
Product Overview
(E)-methyl 4-(4-nitrobenzylideneamino)benzoate (CAS 1343462-95-2), with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol. IUPAC: methyl 4-[(4-nitrophenyl)methylideneamino]benzoate.
Chemical Property Profile of (E)-methyl 4-(4-nitrobenzylideneamino)benzoate
Property Insights of (E)-methyl 4-(4-nitrobenzylideneamino)benzoate
The XLogP value of 3.2 indicates that (E)-methyl 4-(4-nitrobenzylideneamino)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 (E)-methyl 4-(4-nitrobenzylideneamino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(4-nitrobenzylideneamino)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 (E)-methyl 4-(4-nitrobenzylideneamino)benzoate?
The CAS number of (E)-methyl 4-(4-nitrobenzylideneamino)benzoate is 1343462-95-2.
What is the molecular formula of (E)-methyl 4-(4-nitrobenzylideneamino)benzoate?
The molecular formula of (E)-methyl 4-(4-nitrobenzylideneamino)benzoate is C15H12N2O4.
What is the molecular weight of (E)-methyl 4-(4-nitrobenzylideneamino)benzoate?
The molecular weight of (E)-methyl 4-(4-nitrobenzylideneamino)benzoate is 284.08 g/mol.
Where can I buy (E)-methyl 4-(4-nitrobenzylideneamino)benzoate?
You can request a quote for (E)-methyl 4-(4-nitrobenzylideneamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(4-nitrobenzylideneamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(4-nitrobenzylideneamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.