4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one (CAS 488708-02-7) is a chemical compound with molecular formula C29H32N2O4S and molecular weight 504.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one, 4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-5-(2-THIENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, (4E)-1-(2-diethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione, 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one, 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(thiophen-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C29H32N2O4S |
|---|---|
| Molecular Weight | 504.21 g/mol |
| LogP | 5.39902 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 504.20828 |
| Heavy Atoms | 36 |
| Complexity | 1233.4248 |
Chemical Identifiers
| CAS Number | 488708-02-7 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC=CS4 |
Product Overview
4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one (CAS 488708-02-7), with molecular formula C29H32N2O4S and molecular weight 504.21 g/mol. IUPAC: (4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 5.39902 indicates that 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-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-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-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-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one is 488708-02-7.
What is the molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one is C29H32N2O4S.
What is the molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one is 504.21 g/mol.
Where can I buy 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-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 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.