(E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid
TL;DR: (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid (CAS 249277-64-3) is a chemical compound with molecular formula C10H8N2O6 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxy-5-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: BAS 00632415, 4-(2-hydroxy-5-nitroanilino)-4-oxobut-2-enoic acid, (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid, 4-[(2-hydroxy-5-nitrophenyl)amino]-4-oxo-2-butenoic acid
| Molecular Formula | C10H8N2O6 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 0.8797 |
| Topological Polar Surface Area | 129.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.03824 |
| Heavy Atoms | 18 |
| Complexity | 537.1695 |
Chemical Identifiers
| CAS Number | 249277-64-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)C=CC(=O)O)O |
Product Overview
(E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid (CAS 249277-64-3), with molecular formula C10H8N2O6 and molecular weight 252.04 g/mol. IUPAC: 4-(2-hydroxy-5-nitroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid
Property Insights of (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid
The XLogP value of 0.8797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid. The TPSA of 129.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid has 3 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 (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid?
The CAS number of (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid is 249277-64-3.
What is the molecular formula of (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid?
The molecular formula of (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid is C10H8N2O6.
What is the molecular weight of (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid?
The molecular weight of (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid is 252.04 g/mol.
Where can I buy (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid?
You can request a quote for (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-Hydroxy-5-nitroanilino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.