5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
TL;DR: 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid (CAS 66414-05-9) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxycarbonyl-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
Also Known As: 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid, 5-ethoxycarbonyl-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic Acid, 2-ethyloxycarbonyl-3-ethyl-5-methyl-pyrrole-4-carboxylic acid
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.76042 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 419.8642 |
Chemical Identifiers
| CAS Number | 66414-05-9 |
|---|---|
| SMILES | CCC1=C(NC(=C1C(=O)O)C)C(=O)OCC |
Product Overview
5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid (CAS 66414-05-9), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: 5-ethoxycarbonyl-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
Property Insights of 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 1.76042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid has 2 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 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid is 66414-05-9.
What is the molecular formula of 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid is C11H15NO4.
What is the molecular weight of 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid is 225.10 g/mol.
Where can I buy 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Ethoxycarbonyl)-4-ethyl-2-methyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.