Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)
TL;DR: Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) (CAS 131971-25-0) is a chemical compound with molecular formula C30H44N2O8 and molecular weight 560.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-[6-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]hexyl]-2,5-dimethylpyrrole-3,4-dicarboxylate
Also Known As: Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate), diethyl 1-[6-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]hexyl]-2,5-dimethylpyrrole-3,4-dicarboxylate, 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid, 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid, Tetraethyl 1,1'-(hexane-1,6-diyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)
| Molecular Formula | C30H44N2O8 |
|---|---|
| Molecular Weight | 560.31 g/mol |
| LogP | 5.49068 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 560.30975 |
| Heavy Atoms | 40 |
| Complexity | 1044.117 |
Chemical Identifiers
| CAS Number | 131971-25-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)CCCCCCN2C(=C(C(=C2C)C(=O)OCC)C(=O)OCC)C)C |
Product Overview
Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) (CAS 131971-25-0), with molecular formula C30H44N2O8 and molecular weight 560.31 g/mol. IUPAC: diethyl 1-[6-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]hexyl]-2,5-dimethylpyrrole-3,4-dicarboxylate.
Chemical Property Profile of Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)
Property Insights of Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)
The XLogP value of 5.49068 indicates that Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate). Following Lipinski's Rule of Five, Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)?
The CAS number of Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) is 131971-25-0.
What is the molecular formula of Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)?
The molecular formula of Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) is C30H44N2O8.
What is the molecular weight of Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)?
The molecular weight of Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) is 560.31 g/mol.
Where can I buy Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)?
You can request a quote for Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.