![methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/585/585555-22-2.png)
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 585555-22-2) is a chemical compound with molecular formula C23H26N4O7 and molecular weight 470.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[1-(2-dimethylaminoethyl)-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(Z)-[1-(2-dimethylaminoethyl)-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C23H26N4O7 |
|---|---|
| Molecular Weight | 470.18 g/mol |
| LogP | 2.30964 |
| Topological Polar Surface Area | 146.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.18015 |
| Heavy Atoms | 34 |
| Complexity | 1211.896 |
Chemical Identifiers
| CAS Number | 585555-22-2 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)[N+](=O)[O-])/O)C)C(=O)OC |
Product Overview
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 585555-22-2), with molecular formula C23H26N4O7 and molecular weight 470.18 g/mol. IUPAC: methyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 2.30964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. The TPSA of 146.08 Ų indicates high polarity, suggesting methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-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, methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-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 methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 585555-22-2.
What is the molecular formula of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C23H26N4O7.
What is the molecular weight of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 470.18 g/mol.
Where can I buy methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-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 methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo(3-pyrr olin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-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.