![4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester structure](/static/products/586/586992-01-0.png)
4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester
TL;DR: 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester (CAS 586992-01-0) is a chemical compound with molecular formula C23H29N3O5S and molecular weight 459.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[1-[2-(diethylamino)ethyl]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester, methyl 4-({1-[2-(diethylamino)ethyl]-4-hydroxy-5-oxo-2-(2-thienyl)(3-pyrrolin- 3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[1-(2-diethylaminoethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(Z)-[1-(2-diethylaminoethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C23H29N3O5S |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 3.24314 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.1828 |
| Heavy Atoms | 32 |
| Complexity | 1050.1301 |
Chemical Identifiers
| CAS Number | 586992-01-0 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=C(NC(=C2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC=CS3 |
Product Overview
4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester (CAS 586992-01-0), with molecular formula C23H29N3O5S and molecular weight 459.18 g/mol. IUPAC: methyl 4-[(E)-[1-[2-(diethylamino)ethyl]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester
Property Insights of 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester
The XLogP value of 3.24314 indicates that 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester 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 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester 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 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester?
The CAS number of 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester is 586992-01-0.
What is the molecular formula of 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester?
The molecular formula of 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester is C23H29N3O5S.
What is the molecular weight of 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester?
The molecular weight of 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester is 459.18 g/mol.
Where can I buy 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester?
You can request a quote for 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-(2-Diethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dim ethyl-1H-pyrrole-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.