![4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one structure](/static/products/498/498571-40-7.png)
4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 498571-40-7) is a chemical compound with molecular formula C28H30N2O4S and molecular weight 490.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione, 4-(4-(benzyloxy)-2-methylbenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one, 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C28H30N2O4S |
|---|---|
| Molecular Weight | 490.19 g/mol |
| LogP | 5.00892 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.19263 |
| Heavy Atoms | 35 |
| Complexity | 1219.019 |
Chemical Identifiers
| CAS Number | 498571-40-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN(C)C)C4=CC=CS4)/O |
Product Overview
4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 498571-40-7), with molecular formula C28H30N2O4S and molecular weight 490.19 g/mol. IUPAC: (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 5.00892 indicates that 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 498571-40-7.
What is the molecular formula of 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is C28H30N2O4S.
What is the molecular weight of 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 490.19 g/mol.
Where can I buy 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.