3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 425628-19-9) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-1-(2-hydroxyethyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one, (4Z)-1-(2-hydroxyethyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione, 3-hydroxy-1-(2-hydroxyethyl)-4-[(4-methylphenyl)carbonyl]-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C20H18N2O6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.31722 |
| Topological Polar Surface Area | 120.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.1165 |
| Heavy Atoms | 28 |
| Complexity | 980.4454 |
Chemical Identifiers
| CAS Number | 425628-19-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCO)C3=CC=CC=C3[N+](=O)[O-])/O |
Product Overview
3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 425628-19-9), with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol. IUPAC: (4Z)-1-(2-hydroxyethyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 2.31722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one. The TPSA of 120.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one has 2 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 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one is 425628-19-9.
What is the molecular formula of 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one is C20H18N2O6.
What is the molecular weight of 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one is 382.12 g/mol.
Where can I buy 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-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 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.