1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester
TL;DR: 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester (CAS 6320-38-3) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate
Also Known As: Pyrrole-3,5-diCOOH analog, 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester, diethyl 1,3,5-trimethyl-1H-pyrrole-2,4-dicarboxylate, diethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate, Dimethyl 1,2,5-trimethyl-1H-pyrrole-3,5-dicarboxylate
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 6320-38-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1C)C(=O)OCC)C)C |
| InChIKey | GMKILXWDKRXSNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester (CAS 6320-38-3), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: diethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate.
Chemical Property Profile of 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester
Property Insights of 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester. With a topological polar surface area (TPSA) of 57.5 Ų, 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester has 0 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-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester?
The CAS number of 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester is 6320-38-3.
What is the molecular formula of 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester?
The molecular formula of 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester is C13H19NO4.
What is the molecular weight of 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester?
The molecular weight of 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester is 253.13 g/mol.
Where can I buy 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester?
You can request a quote for 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, 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-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.