3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate
TL;DR: 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate (CAS 618366-01-1) is a chemical compound with molecular formula C28H30N2O8 and molecular weight 522.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate
Also Known As: 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate, (E)-1-benzofuran-2-yl{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
| Molecular Formula | C28H30N2O8 |
|---|---|
| Molecular Weight | 522.20 g/mol |
| LogP | 0.7543 |
| Topological Polar Surface Area | 114.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.2002 |
| Heavy Atoms | 38 |
| Complexity | 1330.5015 |
Chemical Identifiers
| CAS Number | 618366-01-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate (CAS 618366-01-1), with molecular formula C28H30N2O8 and molecular weight 522.20 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate.
Chemical Property Profile of 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate
Property Insights of 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate
The XLogP value of 0.7543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate. The TPSA of 114.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate. Following Lipinski's Rule of Five, 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate has 1 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 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate?
The CAS number of 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate is 618366-01-1.
What is the molecular formula of 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate?
The molecular formula of 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate is C28H30N2O8.
What is the molecular weight of 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate?
The molecular weight of 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate is 522.20 g/mol.
Where can I buy 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate?
You can request a quote for 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-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-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.