3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid
TL;DR: 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid (CAS 6308-44-7) is a chemical compound with molecular formula C10H11NO6 and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxycarbonyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid
Also Known As: 3-(ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid, 3-ethoxycarbonyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid, 4-methyl-pyrrole-2,3,5-tricarboxylic acid-3-ethyl ester, 1H-Pyrrole-2,3,5-tricarboxylicacid, 4-methyl-, 3-ethyl ester
| Molecular Formula | C10H11NO6 |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05864 |
| Heavy Atoms | 17 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 6308-44-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)O)C(=O)O |
| InChIKey | OMNCTLUKQUOFBC-UHFFFAOYSA-N |
Product Overview
3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid (CAS 6308-44-7), with molecular formula C10H11NO6 and molecular weight 241.06 g/mol. IUPAC: 3-ethoxycarbonyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid.
Chemical Property Profile of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid
Property Insights of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid. Following Lipinski's Rule of Five, 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic 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-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid?
The CAS number of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid is 6308-44-7.
What is the molecular formula of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid?
The molecular formula of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid is C10H11NO6.
What is the molecular weight of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid?
The molecular weight of 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid is 241.06 g/mol.
Where can I buy 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid?
You can request a quote for 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic 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-methyl-1h-pyrrole-2,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethoxycarbonyl)-4-methyl-1h-pyrrole-2,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.