(E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate
TL;DR: (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate (CAS 1343462-67-8) is a chemical compound with molecular formula C15H11ClN2O4 and molecular weight 318.04074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(4-chloro-3-nitrophenyl)methylideneamino]benzoate
Also Known As: methyl (E)-4-((4-chloro-3-nitrobenzylidene)amino)benzoate, methyl 4-[(4-chloro-3-nitrobenzylidene)amino]benzoate, (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate, (E)-methyl 4-(4-chloro-3-nitrobenzylideneamino)benzoate, methyl 4-[(4-chloro-3-nitrophenyl)methylideneamino]benzoate
Technical Specifications
| Molecular Formula | C15H11ClN2O4 |
| Molecular Weight | 318.04074 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.04074 Da |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | PJMLGQIYGZZASU-UHFFFAOYSA-N |
Chemical Property Profile of (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate
Property Insights of (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate
The XLogP value of 3.5 indicates that (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)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-chloro-3-nitrobenzylidenamino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)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
What is the CAS number of (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate?
The CAS number of (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate is 1343462-67-8.
What is the molecular formula of (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate?
The molecular formula of (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate is C15H11ClN2O4.
What is the molecular weight of (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate?
The molecular weight of (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate is 318.04074 g/mol.
Where can I buy (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate?
You can request a quote for (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate?
Yes, CoreyChem provides custom synthesis services for (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.