ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 847243-84-9) is a chemical compound with molecular formula C27H32FN3O6 and molecular weight 513.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-[2-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[2-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-{[2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-5-oxo(3-pyrr olin-3-yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate
| Molecular Formula | C27H32FN3O6 |
|---|---|
| Molecular Weight | 513.23 g/mol |
| LogP | 3.09134 |
| Topological Polar Surface Area | 112.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.22754 |
| Heavy Atoms | 37 |
| Complexity | 1230.7249 |
Chemical Identifiers
| CAS Number | 847243-84-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4F)/O)C |
Product Overview
ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 847243-84-9), with molecular formula C27H32FN3O6 and molecular weight 513.23 g/mol. IUPAC: ethyl 4-[(E)-[2-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 3.09134 indicates that ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 847243-84-9.
What is the molecular formula of ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C27H32FN3O6.
What is the molecular weight of ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 513.23 g/mol.
Where can I buy ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.