1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester
TL;DR: 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester (CAS 2199-56-6) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
Also Known As: Diethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate, 2,5-Dimethyl-3,4-diethoxycarbonyl-pyrrol, 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester, diethyl 2,5-dimethylpyrrole-3,4-dicarboxylate, 2,5-Dimethyl-1H-pyrrole-3,4-dicarboxylic acid diethyl ester
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.98494 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 395.45917 |
Chemical Identifiers
| CAS Number | 2199-56-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C(=O)OCC)C)C |
Product Overview
1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester (CAS 2199-56-6), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: diethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate.
Chemical Property Profile of 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester
Property Insights of 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester
The XLogP value of 1.98494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester has 1 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 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester?
The CAS number of 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester is 2199-56-6.
What is the molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester?
The molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester is C12H17NO4.
What is the molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester?
The molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester is 239.12 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester?
You can request a quote for 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3,4-dicarboxylic acid, 2,5-dimethyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.