Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate
TL;DR: Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate (CAS 52091-12-0) 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.
benzyl 4-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ETHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEACETATE, benzyl 4-ethoxycarbonylmethyl-3,5-dimethylpyrrole-2-carboxylate, benzyl 4-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, Benzyl 4-(ethoxycarbonylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, 660-803-2
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 3.09414 |
| 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 | 52091-12-0 |
|---|---|
| SMILES | CCOC(=O)CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C |
Product Overview
Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate (CAS 52091-12-0), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: benzyl 4-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate
Property Insights of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate
The XLogP value of 3.09414 indicates that Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate 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 Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate. Following Lipinski's Rule of Five, Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate 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 Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate?
The CAS number of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate is 52091-12-0.
What is the molecular formula of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate?
The molecular formula of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate is C18H21NO4.
What is the molecular weight of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate?
The molecular weight of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate is 315.15 g/mol.
Where can I buy Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate?
You can request a quote for Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.