N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide
TL;DR: N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide (CAS 519013-29-7) is a chemical compound with molecular formula C24H27FN2O6S and molecular weight 490.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[(E)-[2-(4-fluorophenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]benzenesulfonamide
Also Known As: N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide, N,N-diethyl-4-[(E)-[2-(4-fluorophenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene](hydroxy)methyl]benzenesulfonamide, N,N-diethyl-4-[(E)-[2-(4-fluorophenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]benzenesulfonamide, N,N-diethyl-4-{[2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}benzenesulfonamide
| Molecular Formula | C24H27FN2O6S |
|---|---|
| Molecular Weight | 490.16 g/mol |
| LogP | 2.9243 |
| Topological Polar Surface Area | 104.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.15738 |
| Heavy Atoms | 34 |
| Complexity | 1188.9739 |
Chemical Identifiers
| CAS Number | 519013-29-7 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCOC)C3=CC=C(C=C3)F)/O |
Product Overview
N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide (CAS 519013-29-7), with molecular formula C24H27FN2O6S and molecular weight 490.16 g/mol. IUPAC: N,N-diethyl-4-[(E)-[2-(4-fluorophenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]benzenesulfonamide.
Chemical Property Profile of N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide
Property Insights of N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide
The XLogP value of 2.9243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide. The TPSA of 104.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide. Following Lipinski's Rule of Five, N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide 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 N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide?
The CAS number of N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide is 519013-29-7.
What is the molecular formula of N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide?
The molecular formula of N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide is C24H27FN2O6S.
What is the molecular weight of N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide?
The molecular weight of N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide is 490.16 g/mol.
Where can I buy N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide?
You can request a quote for N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-4-(2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.