Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)
TL;DR: Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) (CAS 75534-69-9) is a chemical compound with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate), ethyl 5-[1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)eth, 1H-Pyrrole-3-carboxylic acid,5'-ethylidenebis[2,4-dimethyl-, diethyl ester, diethyl 5,5'-ethane-1,1-diylbis(2,4-dimethyl-1h-pyrrole-3-carboxylate), ethyl 5-[1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C20H28N2O4 |
|---|---|
| Molecular Weight | 360.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.2049 |
| Heavy Atoms | 26 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 75534-69-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(C)C2=C(C(=C(N2)C)C(=O)OCC)C)C |
| InChIKey | SZZZMJSQFSKDCI-UHFFFAOYSA-N |
Product Overview
Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) (CAS 75534-69-9), with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol. IUPAC: ethyl 5-[1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)
Property Insights of Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)
The XLogP value of 3.8 indicates that Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) 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'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate). Following Lipinski's Rule of Five, Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) 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'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)?
The CAS number of Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) is 75534-69-9.
What is the molecular formula of Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)?
The molecular formula of Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) is C20H28N2O4.
What is the molecular weight of Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)?
The molecular weight of Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) is 360.20 g/mol.
Where can I buy Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)?
You can request a quote for Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) 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'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5,5'-(ethane-1,1-diyl)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.