4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
TL;DR: 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide (CAS 690669-01-3) is a chemical compound with molecular formula C22H23FN2O6S and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[2-(2-fluorophenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
Also Known As: 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide, 4-[(E)-[2-(2-fluorophenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene](hydroxy)methyl]-N,N-dimethylbenzenesulfonamide, 4-[(E)-[2-(2-fluorophenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide, 4-{[2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C22H23FN2O6S |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 2.1441 |
| Topological Polar Surface Area | 104.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.1261 |
| Heavy Atoms | 32 |
| Complexity | 1175.1621 |
Chemical Identifiers
| CAS Number | 690669-01-3 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCOC)C3=CC=CC=C3F)/O |
Product Overview
4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide (CAS 690669-01-3), with molecular formula C22H23FN2O6S and molecular weight 462.13 g/mol. IUPAC: 4-[(E)-[2-(2-fluorophenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
Property Insights of 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
The XLogP value of 2.1441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide. The TPSA of 104.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide 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 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The CAS number of 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is 690669-01-3.
What is the molecular formula of 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The molecular formula of 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is C22H23FN2O6S.
What is the molecular weight of 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The molecular weight of 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is 462.13 g/mol.
Where can I buy 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
You can request a quote for 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.