3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
TL;DR: 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 7282-99-7) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
Also Known As: 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid, 3-(ethoxycarbonyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid, 1h-pyrrole-2,3-dicarboxylic acid, 4,5-dimethyl-, 3-ethyl ester, 2-(2-Oxo-2-phenyl-ethyl)-6-phenyl-2H-pyridazin-3-one, 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylicacid
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 7282-99-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C)C(=O)O |
| InChIKey | AZOFTYGLXBYICQ-UHFFFAOYSA-N |
Product Overview
3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 7282-99-7), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
Property Insights of 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid is 7282-99-7.
What is the molecular formula of 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid is C10H13NO4.
What is the molecular weight of 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid is 211.08 g/mol.
Where can I buy 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.