4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-diethylbenzenesulfonamide
TL;DR: 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-diethylbenzenesulfonamide (CAS 849033-88-1) is a chemical compound with molecular formula C27H32N2O7S and molecular weight 528.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[(E)-hydroxy-[1-(2-methoxyethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methyl]benzenesulfonamide
Also Known As: 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-diethylbenzenesulfonamide, N,N-diethyl-4-[(E)-hydroxy-[1-(2-methoxyethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methyl]benzenesulfonamide, N,N-diethyl-4-[(E)-hydroxy{1-(2-methoxyethyl)-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methyl]benzenesulfonamide
| Molecular Formula | C27H32N2O7S |
|---|---|
| Molecular Weight | 528.19 g/mol |
| LogP | 3.35 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 528.193 |
| Heavy Atoms | 37 |
| Complexity | 1264.8379 |
Chemical Identifiers
| CAS Number | 849033-88-1 |
|---|---|
| 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)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-diethylbenzenesulfonamide (CAS 849033-88-1), with molecular formula C27H32N2O7S and molecular weight 528.19 g/mol. IUPAC: N,N-diethyl-4-[(E)-hydroxy-[1-(2-methoxyethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methyl]benzenesulfonamide.
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-diethylbenzenesulfonamide
Property Insights of 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-diethylbenzenesulfonamide
The XLogP value of 3.35 indicates that 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-diethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-diethylbenzenesulfonamide. 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-diethylbenzenesulfonamide 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-diethylbenzenesulfonamide?
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-diethylbenzenesulfonamide is 849033-88-1.
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-diethylbenzenesulfonamide?
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-diethylbenzenesulfonamide is C27H32N2O7S.
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-diethylbenzenesulfonamide?
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-diethylbenzenesulfonamide is 528.19 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-diethylbenzenesulfonamide?
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-diethylbenzenesulfonamide 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-diethylbenzenesulfonamide?
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-diethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.