4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
TL;DR: 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide (CAS 690652-23-4) is a chemical compound with molecular formula C25H28N2O7S and molecular weight 500.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-hydroxy-[1-(2-methoxyethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide
Also Known As: 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide, 4-[(E)-hydroxy-[1-(2-methoxyethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide, 4-[(E)-hydroxy{1-(2-methoxyethyl)-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methyl]-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C25H28N2O7S |
|---|---|
| Molecular Weight | 500.16 g/mol |
| LogP | 2.5698 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.1617 |
| Heavy Atoms | 35 |
| Complexity | 1233.5814 |
Chemical Identifiers
| CAS Number | 690652-23-4 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCOC)C3=CC=C(C=C3)OCC=C)/O |
Product Overview
4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide (CAS 690652-23-4), with molecular formula C25H28N2O7S and molecular weight 500.16 g/mol. IUPAC: 4-[(E)-hydroxy-[1-(2-methoxyethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
Property Insights of 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
The XLogP value of 2.5698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(4-(allyloxy)phenyl)-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-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The CAS number of 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is 690652-23-4.
What is the molecular formula of 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The molecular formula of 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is C25H28N2O7S.
What is the molecular weight of 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The molecular weight of 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is 500.16 g/mol.
Where can I buy 4-(2-(4-(allyloxy)phenyl)-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-(4-(allyloxy)phenyl)-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-(4-(allyloxy)phenyl)-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-(4-(allyloxy)phenyl)-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.