4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 4949-46-6) 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.
4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 4-BENZYL 2-ETHYL 3-ETHYL-2-METHYL-2,4-PYRROLEDICARBOXYLATE, Benzyl Ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate, 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 3.41922 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 688.5472 |
Chemical Identifiers
| CAS Number | 4949-46-6 |
|---|---|
| SMILES | CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)C(=O)OCC |
Product Overview
4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 4949-46-6), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 3.41922 indicates that 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-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 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate is 4949-46-6.
What is the molecular formula of 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate is C18H21NO4.
What is the molecular weight of 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate is 315.15 g/mol.
Where can I buy 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 4-O-benzyl 2-O-ethyl 3-ethyl-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-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.