Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)
TL;DR: Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) (CAS 6968-35-0) is a chemical compound with molecular formula C21H30N2O4 and molecular weight 374.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: Maybridge1_001983, Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate), diethyl 5,5'-methylenebis(4-ethyl-3-methyl-1h-pyrrole-2-carboxylate), BAS 00674120, ethyl 5-[(5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C21H30N2O4 |
|---|---|
| Molecular Weight | 374.22 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 374.22055 |
| Heavy Atoms | 27 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 6968-35-0 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C(=O)OCC)CC2=C(C(=C(N2)C(=O)OCC)C)CC |
| InChIKey | BPMQEODKNZPRMH-UHFFFAOYSA-N |
Product Overview
Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) (CAS 6968-35-0), with molecular formula C21H30N2O4 and molecular weight 374.22 g/mol. IUPAC: ethyl 5-[(5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)
Property Insights of Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)
The XLogP value of 4.9 indicates that Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate). Following Lipinski's Rule of Five, Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) has 2 hydrogen bond donor(s) and 4 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 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)?
The CAS number of Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) is 6968-35-0.
What is the molecular formula of Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)?
The molecular formula of Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) is C21H30N2O4.
What is the molecular weight of Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)?
The molecular weight of Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) is 374.22 g/mol.
Where can I buy Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)?
You can request a quote for Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.