2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid
TL;DR: 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid (CAS 120562-90-5) is a chemical compound with molecular formula C16H15NO5 and molecular weight 301.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-ethoxycarbonyl-1-methylpyrrole-3-carbonyl)benzoic acid
Also Known As: 2-(5-(Ethoxycarbonyl)-1-methyl-1H-pyrrole-3-carbonyl)benzoic acid, 3563AA, 2-(5-ethoxycarbonyl-1-methylpyrrole-3-carbonyl)benzoic acid, 2-([5-(ethoxycarbonyl)-1-methyl-1h-pyrrol-3-yl]carbonyl)benzenecarboxylic acid, 2-{[5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]carbonyl}benzoic acid
Technical Specifications
| Molecular Formula | C16H15NO5 |
| Molecular Weight | 301.09503 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.09503 Da |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
| SMILES | CCOC(=O)C1=CC(=CN1C)C(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | NSBVSILGKAWZDW-UHFFFAOYSA-N |
Chemical Property Profile of 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid
Property Insights of 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid?
The CAS number of 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid is 120562-90-5.
What is the molecular formula of 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid?
The molecular formula of 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid is C16H15NO5.
What is the molecular weight of 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid?
The molecular weight of 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid is 301.09503 g/mol.
Where can I buy 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid?
You can request a quote for 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((5-(Ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.