4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 487022-90-2) is a chemical compound with molecular formula C31H31N3O7 and molecular weight 557.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C31H31N3O7 |
|---|---|
| Molecular Weight | 557.22 g/mol |
| LogP | 4.23612 |
| Topological Polar Surface Area | 122.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 557.2162 |
| Heavy Atoms | 41 |
| Complexity | 1464.7867 |
Chemical Identifiers
| CAS Number | 487022-90-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=C(C=C5)[N+](=O)[O-])/O |
Product Overview
4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 487022-90-2), with molecular formula C31H31N3O7 and molecular weight 557.22 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.23612 indicates that 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 8 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)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 487022-90-2.
What is the molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is C31H31N3O7.
What is the molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 557.22 g/mol.
Where can I buy 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-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)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.