2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
TL;DR: 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate (CAS 35889-90-8) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-benzyl 5-O-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
Also Known As: 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate, 3-Ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylicacid2- 5-ethylester, 1H-Pyrrole-2,5-dicarboxylic acid, 3-ethyl-4-methyl-, 5-ethyl 2-(phenylmethyl) ester, 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate #, 2-O-benzyl 5-O-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 35889-90-8 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C(=O)OCC)C(=O)OCC2=CC=CC=C2 |
| InChIKey | OYBYLDLLONDFJJ-UHFFFAOYSA-N |
Product Overview
2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate (CAS 35889-90-8), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: 2-O-benzyl 5-O-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate.
Chemical Property Profile of 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
Property Insights of 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
The XLogP value of 4.1 indicates that 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate. Following Lipinski's Rule of Five, 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate has 1 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 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
The CAS number of 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate is 35889-90-8.
What is the molecular formula of 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
The molecular formula of 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate is C18H21NO4.
What is the molecular weight of 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
The molecular weight of 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate is 315.15 g/mol.
Where can I buy 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
You can request a quote for 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.