4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 52887-35-1) is a chemical compound with molecular formula C20H23NO6 and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-benzyl 2-O-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 3,3-dichlorobiphenyl, Maybridge1_002007, 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, 4-O-benzyl 2-O-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, I14-91787
| Molecular Formula | C20H23NO6 |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 2.96242 |
| Topological Polar Surface Area | 94.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.15253 |
| Heavy Atoms | 27 |
| Complexity | 809.37946 |
Chemical Identifiers
| CAS Number | 52887-35-1 |
|---|---|
| SMILES | CCOC(=O)CC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)C(=O)OCC |
Product Overview
4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 52887-35-1), with molecular formula C20H23NO6 and molecular weight 373.15 g/mol. IUPAC: 4-O-benzyl 2-O-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 2.96242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 94.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate has 1 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 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate is 52887-35-1.
What is the molecular formula of 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate is C20H23NO6.
What is the molecular weight of 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate is 373.15 g/mol.
Where can I buy 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-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 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl 2-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.