1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one (CAS 370868-85-2) is a chemical compound with molecular formula C27H33FN2O4 and molecular weight 468.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(diethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one, (4E)-1-(2-diethylaminoethyl)-5-(4-fluorophenyl)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione, (4E)-1-[2-(diethylamino)ethyl]-5-(4-fluorophenyl)-4-{hydroxy[3-methyl-4-(propan-2-yloxy)phenyl]methylidene}pyrrolidine-2,3-dione
| Molecular Formula | C27H33FN2O4 |
|---|---|
| Molecular Weight | 468.24 g/mol |
| LogP | 4.68482 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.24243 |
| Heavy Atoms | 34 |
| Complexity | 1074.5377 |
Chemical Identifiers
| CAS Number | 370868-85-2 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC(C)C)C)\O)/C(=O)C1=O)C3=CC=C(C=C3)F |
Product Overview
1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one (CAS 370868-85-2), with molecular formula C27H33FN2O4 and molecular weight 468.24 g/mol. IUPAC: (4E)-1-[2-(diethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.68482 indicates that 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-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 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one is 370868-85-2.
What is the molecular formula of 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one is C27H33FN2O4.
What is the molecular weight of 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one is 468.24 g/mol.
Where can I buy 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-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 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.