Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate
TL;DR: Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate (CAS 2489-92-1) is a chemical compound with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate, Triethyl 3,5,5'-trimethyl-1H,1'H-[2,3'-bipyrrole]-2',4,4'-tricarboxylate, diethyl 3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-5-m, diethyl 3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, [2,3'-Bi-1H-pyrrole]-2',4,4'-tricarboxylicacid, 3,5,5'-trimethyl-, 2',4,4'-triethyl ester
| Molecular Formula | C20H26N2O6 |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 390.17908 |
| Heavy Atoms | 28 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 2489-92-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C2=C(NC(=C2C(=O)OCC)C)C(=O)OCC)C |
| InChIKey | MHCBRNFKQOREQC-UHFFFAOYSA-N |
Product Overview
Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate (CAS 2489-92-1), with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol. IUPAC: diethyl 3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-5-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate
Property Insights of Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate
The XLogP value of 3.3 indicates that Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate has 2 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 Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate?
The CAS number of Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate is 2489-92-1.
What is the molecular formula of Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate?
The molecular formula of Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate is C20H26N2O6.
What is the molecular weight of Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate?
The molecular weight of Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate is 390.18 g/mol.
Where can I buy Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate?
You can request a quote for Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 3,5,5'-trimethyl-1h,1'h-2,3'-bipyrrole-2',4,4'-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.