![ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/846/846062-47-3.png)
ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 846062-47-3) is a chemical compound with molecular formula C27H35N3O6 and molecular weight 497.25 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-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, ethyl 4-(1-(3-(dimethylamino)propyl)-2-(4-ethoxyphenyl)-4-hydroxy-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-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(Z)-[1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C27H35N3O6 |
|---|---|
| Molecular Weight | 497.25 g/mol |
| LogP | 3.58034 |
| Topological Polar Surface Area | 112.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 497.2526 |
| Heavy Atoms | 36 |
| Complexity | 1162.9169 |
Chemical Identifiers
| CAS Number | 846062-47-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2/C(=C(/C3=C(NC(=C3C)C(=O)OCC)C)\O)/C(=O)C(=O)N2CCCN(C)C |
Product Overview
ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 846062-47-3), with molecular formula C27H35N3O6 and molecular weight 497.25 g/mol. IUPAC: ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 3.58034 indicates that ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-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-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 7 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]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 846062-47-3.
What is the molecular formula of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C27H35N3O6.
What is the molecular weight of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 497.25 g/mol.
Where can I buy ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-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]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.