![ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate structure](/static/products/846/846580-07-2.png)
ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
TL;DR: ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 846580-07-2) is a chemical compound with molecular formula C28H37N3O5 and molecular weight 495.27 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]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, ethyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C28H37N3O5 |
|---|---|
| Molecular Weight | 495.27 g/mol |
| LogP | 4.30504 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.27332 |
| Heavy Atoms | 36 |
| Complexity | 1174.5372 |
Chemical Identifiers
| CAS Number | 846580-07-2 |
|---|---|
| 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)C(C)C)/O)C |
Product Overview
ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate (CAS 846580-07-2), with molecular formula C28H37N3O5 and molecular weight 495.27 g/mol. IUPAC: ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
Property Insights of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
The XLogP value of 4.30504 indicates that ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 6 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-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The CAS number of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 846580-07-2.
What is the molecular formula of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular formula of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is C28H37N3O5.
What is the molecular weight of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
The molecular weight of ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate is 495.27 g/mol.
Where can I buy ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
You can request a quote for ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-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-(methylethyl)phenyl]-5-ox o(3-pyrrolin-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-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.