![4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester structure](/static/products/848/848766-52-9.png)
4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester
TL;DR: 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester (CAS 848766-52-9) is a chemical compound with molecular formula C21H25N3O5S and molecular weight 431.15 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]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester, methyl 4-(1-(2-(dimethylamino)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-dimethylaminoethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C21H25N3O5S |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 2.46294 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1515 |
| Heavy Atoms | 30 |
| Complexity | 1019.8519 |
Chemical Identifiers
| CAS Number | 848766-52-9 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)/O)C)C(=O)OC |
Product Overview
4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester (CAS 848766-52-9), with molecular formula C21H25N3O5S and molecular weight 431.15 g/mol. IUPAC: methyl 4-[(E)-[1-[2-(dimethylamino)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-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester
Property Insights of 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester
The XLogP value of 2.46294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester. The TPSA of 102.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-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-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester?
The CAS number of 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester is 848766-52-9.
What is the molecular formula of 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester?
The molecular formula of 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester is C21H25N3O5S.
What is the molecular weight of 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester?
The molecular weight of 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester is 431.15 g/mol.
Where can I buy 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester?
You can request a quote for 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-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-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-(2-Dimethylamino-ethyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-di methyl-1H-pyrrole-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.