![5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one structure](/static/products/620/620559-69-5.png)
5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 620559-69-5) is a chemical compound with molecular formula C32H34N2O7 and molecular weight 558.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-(3-ethoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-dimethylaminoethyl)-5-(3-ethoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione, 5-[4-(benzyloxy)-3-ethoxyphenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C32H34N2O7 |
|---|---|
| Molecular Weight | 558.24 g/mol |
| LogP | 4.4188 |
| Topological Polar Surface Area | 97.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 558.2366 |
| Heavy Atoms | 41 |
| Complexity | 1451.6555 |
Chemical Identifiers
| CAS Number | 620559-69-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2CCN(C)C)OCC5=CC=CC=C5 |
Product Overview
5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 620559-69-5), with molecular formula C32H34N2O7 and molecular weight 558.24 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-(3-ethoxy-4-phenylmethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 4.4188 indicates that 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one has 1 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 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 620559-69-5.
What is the molecular formula of 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one is C32H34N2O7.
What is the molecular weight of 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 558.24 g/mol.
Where can I buy 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(benzyloxy)-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.