![1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate structure](/static/products/5296/52962-22-8.webp)
1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate
TL;DR: 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate (CAS 52962-22-8) is a chemical compound with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-nitroanilino)but-2-enedioate
Also Known As: Dimethyl [p-nitrophenylamino]maleate, dimethyl 2-(4-nitroanilino)but-2-enedioate, dimethyl (E)-2-(4-nitroanilino)-2-butenedioate, 1,4-dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate, dimethyl 2-[(4-nitrophenyl)amino]-2-butenedioate
| Molecular Formula | C12H12N2O6 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.06955 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 52962-22-8 |
|---|---|
| SMILES | COC(=O)C=C(C(=O)OC)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | CGQGMMOPLVKRTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate (CAS 52962-22-8), with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol. IUPAC: dimethyl 2-(4-nitroanilino)but-2-enedioate.
Chemical Property Profile of 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate
Property Insights of 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate. Following Lipinski's Rule of Five, 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate has 1 hydrogen bond donor(s) and 7 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 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate?
The CAS number of 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate is 52962-22-8.
What is the molecular formula of 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate?
The molecular formula of 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate is C12H12N2O6.
What is the molecular weight of 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate?
The molecular weight of 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate is 280.07 g/mol.
Where can I buy 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate?
You can request a quote for 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl 2-[(4-nitrophenyl)amino]but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.