4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one (CAS 617697-92-4) is a chemical compound with molecular formula C27H29FN2O5 and molecular weight 480.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one, 5-(4-FLUOROPHENYL)-3-HYDROXY-4-[3-METHYL-4-(PROP-2-EN-1-YLOXY)BENZOYL]-1-[2-(MORPHOLIN-4-YL)ETHYL]-2,5-DIHYDRO-1H-PYRROL-2-ONE
| Molecular Formula | C27H29FN2O5 |
|---|---|
| Molecular Weight | 480.21 g/mol |
| LogP | 3.45282 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.20605 |
| Heavy Atoms | 35 |
| Complexity | 1138.7606 |
Chemical Identifiers
| CAS Number | 617697-92-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)F)/O)OCC=C |
Product Overview
4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one (CAS 617697-92-4), with molecular formula C27H29FN2O5 and molecular weight 480.21 g/mol. IUPAC: (4E)-5-(4-fluorophenyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.45282 indicates that 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 6 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 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one is 617697-92-4.
What is the molecular formula of 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one is C27H29FN2O5.
What is the molecular weight of 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one is 480.21 g/mol.
Where can I buy 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-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-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.