![4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid structure](/static/products/956/956977-39-2.png)
4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid
TL;DR: 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid (CAS 956977-39-2) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl)amino]-2-hydroxybenzoic acid
Also Known As: 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid, 4-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenyl-pyrrol-3-yl)amino]-2-hydroxy-benzoic Acid, 4-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl)amino]-2-hydroxybenzoic acid, 4-((5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino)-2-hydroxybenzoic acid
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 2.7548 |
| Topological Polar Surface Area | 116.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 1001.48584 |
Chemical Identifiers
| CAS Number | 956977-39-2 |
|---|---|
| SMILES | CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC(=C(C=C3)C(=O)O)O)C |
Product Overview
4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid (CAS 956977-39-2), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: 4-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl)amino]-2-hydroxybenzoic acid.
Chemical Property Profile of 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid
Property Insights of 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid
The XLogP value of 2.7548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid. The TPSA of 116.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid. Following Lipinski's Rule of Five, 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid has 3 hydrogen bond donor(s) and 6 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-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid?
The CAS number of 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid is 956977-39-2.
What is the molecular formula of 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid?
The molecular formula of 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid is C21H20N2O6.
What is the molecular weight of 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid?
The molecular weight of 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid is 396.13 g/mol.
Where can I buy 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid?
You can request a quote for 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.