4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate
TL;DR: 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate (CAS 31695-39-3) is a chemical compound with molecular formula C18H27NO6 and molecular weight 353.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-tert-butyl 2-O-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate, 4-O-tert-butyl 2-O-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1, 4-O-tert-butyl 2-O-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, (2-ETO-CARBONYL-ET)-5-ME-PYRROLE-2,4-DICARBOXYLIC ACID TERT-BU ESTER 2-ET ESTER, 1H-Pyrrole-2,4-dicarboxylicacid, 3-(3-ethoxy-3-oxopropyl)-5-methyl-, 4-(1,1-dimethylethyl) 2-ethyl ester
| Molecular Formula | C18H27NO6 |
|---|---|
| Molecular Weight | 353.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 353.18384 |
| Heavy Atoms | 25 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 31695-39-3 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(NC(=C1C(=O)OC(C)(C)C)C)C(=O)OCC |
| InChIKey | WPIBHMKNVDQOOT-UHFFFAOYSA-N |
Product Overview
4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate (CAS 31695-39-3), with molecular formula C18H27NO6 and molecular weight 353.18 g/mol. IUPAC: 4-O-tert-butyl 2-O-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate
Property Insights of 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate
The XLogP value of 3.0 indicates that 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-tert-butyl 2-ethyl 3-(3-ethoxy-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-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate?
The CAS number of 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate is 31695-39-3.
What is the molecular formula of 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate?
The molecular formula of 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate is C18H27NO6.
What is the molecular weight of 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate?
The molecular weight of 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate is 353.18 g/mol.
Where can I buy 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate?
You can request a quote for 4-tert-butyl 2-ethyl 3-(3-ethoxy-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-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl 2-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.