![3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid structure](/static/products/459/459153-01-6.png)
3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid
TL;DR: 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid (CAS 459153-01-6) is a chemical compound with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid
Also Known As: 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid, 3-[4-[(3-carboxyphenyl)amino]-2-ethoxycarbonyl-2-methyl-5-oxo-pyrrol-1-yl]benzoic Acid, 3-((1-(3-carboxyphenyl)-5-(ethoxycarbonyl)-5-methyl-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)amino)benzoic acid, 3-{4-[(3-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
| Molecular Formula | C22H20N2O7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 2.7474 |
| Topological Polar Surface Area | 133.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.12704 |
| Heavy Atoms | 31 |
| Complexity | 1108.5432 |
Chemical Identifiers
| CAS Number | 459153-01-6 |
|---|---|
| SMILES | CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC(=C2)C(=O)O)NC3=CC=CC(=C3)C(=O)O)C |
Product Overview
3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid (CAS 459153-01-6), with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol. IUPAC: 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid.
Chemical Property Profile of 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid
Property Insights of 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid
The XLogP value of 2.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid. The TPSA of 133.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic 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 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid?
The CAS number of 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid is 459153-01-6.
What is the molecular formula of 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid?
The molecular formula of 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid is C22H20N2O7.
What is the molecular weight of 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid?
The molecular weight of 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid is 424.13 g/mol.
Where can I buy 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid?
You can request a quote for 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[1-(3-carboxyphenyl)-5-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-yl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.