4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 298686-26-7) is a chemical compound with molecular formula C14H19NO6 and molecular weight 297.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylicacid,3- -5-methyl-,4-ethyl2-methylester, 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate #, 4-O-ethyl 2-O-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylic acid, 3-(3-methoxy-3-oxopropyl)-5-methyl-, 4-ethyl 2-methyl ester (9CI)
| Molecular Formula | C14H19NO6 |
|---|---|
| Molecular Weight | 297.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 297.12125 |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 298686-26-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1CCC(=O)OC)C(=O)OC)C |
| InChIKey | RMOBLQOVTXFVMH-UHFFFAOYSA-N |
Product Overview
4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 298686-26-7), with molecular formula C14H19NO6 and molecular weight 297.12 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate has 1 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 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate is 298686-26-7.
What is the molecular formula of 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate is C14H19NO6.
What is the molecular weight of 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate is 297.12 g/mol.
Where can I buy 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl 2-methyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.