diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 7467-79-0) is a chemical compound with molecular formula C15H21NO6 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate, diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dica
| Molecular Formula | C15H21NO6 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 311.1369 |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 7467-79-0 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(=C(N1)C(=O)OCC)C)C(=O)OCC |
| InChIKey | MYABOQFCTTYCKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 7467-79-0), with molecular formula C15H21NO6 and molecular weight 311.14 g/mol. IUPAC: diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-(2-ethoxy-2-oxoethyl)-3-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 diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate is 7467-79-0.
What is the molecular formula of diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate is C15H21NO6.
What is the molecular weight of diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate is 311.14 g/mol.
Where can I buy diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for diethyl 5-(2-ethoxy-2-oxoethyl)-3-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 diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-(2-ethoxy-2-oxoethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.