4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
TL;DR: 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide (CAS 893702-44-8) is a chemical compound with molecular formula C25H30N2O8S and molecular weight 518.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[2-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
Also Known As: 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide, 4-[(E)-[2-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-3-ylidene](hydroxy)methyl]-N,N-dimethylbenzenesulfonamide, 4-[(E)-[2-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C25H30N2O8S |
|---|---|
| Molecular Weight | 518.17 g/mol |
| LogP | 2.4994 |
| Topological Polar Surface Area | 133.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 518.1723 |
| Heavy Atoms | 36 |
| Complexity | 1269.4645 |
Chemical Identifiers
| CAS Number | 893702-44-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)S(=O)(=O)N(C)C)\O)/C(=O)C(=O)N2CCCOC)O |
Product Overview
4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide (CAS 893702-44-8), with molecular formula C25H30N2O8S and molecular weight 518.17 g/mol. IUPAC: 4-[(E)-[2-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
Property Insights of 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
The XLogP value of 2.4994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide. The TPSA of 133.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide has 2 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 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The CAS number of 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is 893702-44-8.
What is the molecular formula of 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The molecular formula of 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is C25H30N2O8S.
What is the molecular weight of 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The molecular weight of 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is 518.17 g/mol.
Where can I buy 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
You can request a quote for 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-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-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-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.