![ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/844/844649-69-0.png)
ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 844649-69-0) is a chemical compound with molecular formula C25H30N4O7 and molecular weight 498.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, ethyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(Z)-[1-[3-(dimethylamino)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C25H30N4O7 |
|---|---|
| Molecular Weight | 498.21 g/mol |
| LogP | 3.08984 |
| Topological Polar Surface Area | 146.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.21146 |
| Heavy Atoms | 36 |
| Complexity | 1227.7776 |
Chemical Identifiers
| CAS Number | 844649-69-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)[N+](=O)[O-])/O)C |
Product Overview
ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 844649-69-0), with molecular formula C25H30N4O7 and molecular weight 498.21 g/mol. IUPAC: ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 3.08984 indicates that ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.08 Ų indicates high polarity, suggesting ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 8 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 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 844649-69-0.
What is the molecular formula of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C25H30N4O7.
What is the molecular weight of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 498.21 g/mol.
Where can I buy ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-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-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.