![4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester structure](/static/products/862/862243-99-0.png)
4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
TL;DR: 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (CAS 862243-99-0) is a chemical compound with molecular formula C25H31N3O6S and molecular weight 501.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester, ethyl 4-(4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C25H31N3O6S |
|---|---|
| Molecular Weight | 501.19 g/mol |
| LogP | 3.01374 |
| Topological Polar Surface Area | 112.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.19336 |
| Heavy Atoms | 35 |
| Complexity | 1130.5133 |
Chemical Identifiers
| CAS Number | 862243-99-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CS4)/O)C |
Product Overview
4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (CAS 862243-99-0), with molecular formula C25H31N3O6S and molecular weight 501.19 g/mol. IUPAC: ethyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
Property Insights of 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
The XLogP value of 3.01374 indicates that 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 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 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester?
The CAS number of 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester is 862243-99-0.
What is the molecular formula of 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester?
The molecular formula of 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester is C25H31N3O6S.
What is the molecular weight of 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester?
The molecular weight of 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester is 501.19 g/mol.
Where can I buy 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester?
You can request a quote for 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-Hydroxy-1-(3-morpholin-4-yl-propyl)-5-oxo-2-thiophen-2-yl-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5- dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.