4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid
TL;DR: 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid (CAS 85142-53-6) is a chemical compound with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4-methoxy-2-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid, 3-(4-methoxy-2-nitrophenylcarbamoyl)acrylic acid, 4-(4-methoxy-2-nitroanilino)-4-oxobut-2-enoic acid, 4-{2-nitro-4-methoxyanilino}-4-oxo-2-butenoic acid, (E)-4-(4-methoxy-2-nitroanilino)-4-oxobut-2-enoic acid
| Molecular Formula | C11H10N2O6 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 1.1827 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.0539 |
| Heavy Atoms | 19 |
| Complexity | 552.11646 |
Chemical Identifiers
| CAS Number | 85142-53-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)/C=C/C(=O)O)[N+](=O)[O-] |
Product Overview
4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid (CAS 85142-53-6), with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol. IUPAC: (E)-4-(4-methoxy-2-nitroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid
Property Insights of 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid
The XLogP value of 1.1827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid has 2 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 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid?
The CAS number of 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid is 85142-53-6.
What is the molecular formula of 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid?
The molecular formula of 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid is C11H10N2O6.
What is the molecular weight of 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid?
The molecular weight of 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid is 266.05 g/mol.
Where can I buy 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid?
You can request a quote for 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Methoxy-2-nitrophenyl)amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.