3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
TL;DR: 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate (CAS 618365-47-2) is a chemical compound with molecular formula C24H24N2O5S and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
Also Known As: 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate, (E)-1-benzofuran-2-yl{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
| Molecular Formula | C24H24N2O5S |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 1.1801 |
| Topological Polar Surface Area | 87.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.1406 |
| Heavy Atoms | 32 |
| Complexity | 1127.2463 |
Chemical Identifiers
| CAS Number | 618365-47-2 |
|---|---|
| SMILES | C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5 |
Product Overview
3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate (CAS 618365-47-2), with molecular formula C24H24N2O5S and molecular weight 452.14 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate.
Chemical Property Profile of 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
Property Insights of 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
The XLogP value of 1.1801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate. The TPSA of 87.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate. Following Lipinski's Rule of Five, 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate has 1 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 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
The CAS number of 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate is 618365-47-2.
What is the molecular formula of 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
The molecular formula of 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate is C24H24N2O5S.
What is the molecular weight of 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
The molecular weight of 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate is 452.14 g/mol.
Where can I buy 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
You can request a quote for 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.