5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
TL;DR: 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one (CAS 893696-92-9) is a chemical compound with molecular formula C34H38N2O6 and molecular weight 570.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[3-(dimethylamino)propyl]-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Also Known As: 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one, (4E)-1-[3-(dimethylamino)propyl]-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione, (4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-1-[3-(dimethylamino)propyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C34H38N2O6 |
|---|---|
| Molecular Weight | 570.27 g/mol |
| LogP | 5.3611 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 570.273 |
| Heavy Atoms | 42 |
| Complexity | 1482.6025 |
Chemical Identifiers
| CAS Number | 893696-92-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2CCCN(C)C)OCC5=CC=CC=C5 |
Product Overview
5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one (CAS 893696-92-9), with molecular formula C34H38N2O6 and molecular weight 570.27 g/mol. IUPAC: (4E)-1-[3-(dimethylamino)propyl]-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
Property Insights of 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
The XLogP value of 5.3611 indicates that 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one 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 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The CAS number of 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is 893696-92-9.
What is the molecular formula of 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is C34H38N2O6.
What is the molecular weight of 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one is 570.27 g/mol.
Where can I buy 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(benzyloxy)-3-ethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.