Dimethyl (2-nitroanilino)maleate
TL;DR: Dimethyl (2-nitroanilino)maleate (CAS 16133-96-3) 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 (E)-2-(2-nitroanilino)but-2-enedioate
Also Known As: Dimethyl (2-nitroanilino)maleate, dimethyl 2-(2-nitrophenylamino)maleate, dimethyl (E)-2-(2-nitroanilino)but-2-enedioate, Dimethyl (2E)-2-(2-nitroanilino)-2-butenedioate #
| Molecular Formula | C12H12N2O6 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 1.2366 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.06955 |
| Heavy Atoms | 20 |
| Complexity | 566.8209 |
Chemical Identifiers
| CAS Number | 16133-96-3 |
|---|---|
| SMILES | COC(=O)/C=C(\C(=O)OC)/NC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Dimethyl (2-nitroanilino)maleate (CAS 16133-96-3), with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol. IUPAC: dimethyl (E)-2-(2-nitroanilino)but-2-enedioate.
Chemical Property Profile of Dimethyl (2-nitroanilino)maleate
Property Insights of Dimethyl (2-nitroanilino)maleate
The XLogP value of 1.2366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (2-nitroanilino)maleate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (2-nitroanilino)maleate. Following Lipinski's Rule of Five, Dimethyl (2-nitroanilino)maleate 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 Dimethyl (2-nitroanilino)maleate?
The CAS number of Dimethyl (2-nitroanilino)maleate is 16133-96-3.
What is the molecular formula of Dimethyl (2-nitroanilino)maleate?
The molecular formula of Dimethyl (2-nitroanilino)maleate is C12H12N2O6.
What is the molecular weight of Dimethyl (2-nitroanilino)maleate?
The molecular weight of Dimethyl (2-nitroanilino)maleate is 280.07 g/mol.
Where can I buy Dimethyl (2-nitroanilino)maleate?
You can request a quote for Dimethyl (2-nitroanilino)maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (2-nitroanilino)maleate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (2-nitroanilino)maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.