![diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate structure](/static/products/6723/6723-17-7.webp)
diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate
TL;DR: diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate (CAS 6723-17-7) is a chemical compound with molecular formula C21H28N2O6 and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate, diethyl 5-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylicacid, 5-[[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl]-3-methyl-,2,4-diethyl ester
| Molecular Formula | C21H28N2O6 |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 404.19473 |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 6723-17-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CC2=C(NC(=C2C(=O)OCC)C)C |
| InChIKey | BVDPETJCGVZTRL-UHFFFAOYSA-N |
Product Overview
diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate (CAS 6723-17-7), with molecular formula C21H28N2O6 and molecular weight 404.19 g/mol. IUPAC: diethyl 5-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate
Property Insights of diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate
The XLogP value of 3.6 indicates that diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate 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 diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate 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 diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate?
The CAS number of diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate is 6723-17-7.
What is the molecular formula of diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate?
The molecular formula of diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate is C21H28N2O6.
What is the molecular weight of diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate?
The molecular weight of diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate is 404.19 g/mol.
Where can I buy diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate?
You can request a quote for diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-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 diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-{[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.