![2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester structure](/static/products/1745/17454-33-0.webp)
2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester
TL;DR: 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester (CAS 17454-33-0) 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-(2-nitroanilino)but-2-enedioate
Also Known As: dimethyl 2-(2-nitroanilino)but-2-enedioate, 2-dimethylamino-1,3,2-dioxaphosphorinane, 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester
| 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 | 415.0 |
Chemical Identifiers
| CAS Number | 17454-33-0 |
|---|---|
| SMILES | COC(=O)C=C(C(=O)OC)NC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | DVKOMSZOTQWXKF-UHFFFAOYSA-N |
Product Overview
2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester (CAS 17454-33-0), with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol. IUPAC: dimethyl 2-(2-nitroanilino)but-2-enedioate.
Chemical Property Profile of 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester
Property Insights of 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester. Following Lipinski's Rule of Five, 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester 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 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester?
The CAS number of 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester is 17454-33-0.
What is the molecular formula of 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester?
The molecular formula of 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester is C12H12N2O6.
What is the molecular weight of 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester?
The molecular weight of 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester is 280.07 g/mol.
Where can I buy 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester?
You can request a quote for 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid, 2-[(2-nitrophenyl)amino]-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.