4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid (CAS 50964-12-0) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxy-5-methylanilino)-4-oxobut-2-enoic acid
Also Known As: 2'-hydroxy-5'-methylmaleanilic acid, 4-(2-hydroxy-5-methylanilino)-4-oxobut-2-enoic acid, 3-[(2-hydroxy-5-methyl-phenyl)carbamoyl]prop-2-enoic Acid
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.27992 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 451.29782 |
Chemical Identifiers
| CAS Number | 50964-12-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)NC(=O)C=CC(=O)O |
Product Overview
4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid (CAS 50964-12-0), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 4-(2-hydroxy-5-methylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid
The XLogP value of 1.27992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid has 3 hydrogen bond donor(s) and 3 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-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid is 50964-12-0.
What is the molecular formula of 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid is C11H11NO4.
What is the molecular weight of 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid is 221.07 g/mol.
Where can I buy 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2-Hydroxy-5-methylanilino)-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-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxy-5-methylanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.