3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one
TL;DR: 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one (CAS 425625-97-4) is a chemical compound with molecular formula C19H13ClN2O7 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid
Also Known As: 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one, [2-(4-chlorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid, {(3E)-2-(4-chlorophenyl)-3-[hydroxy(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}acetic acid, 2-(2-(4-chlorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid, 2-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid
| Molecular Formula | C19H13ClN2O7 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 2.7545 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.04114 |
| Heavy Atoms | 29 |
| Complexity | 1045.2323 |
Chemical Identifiers
| CAS Number | 425625-97-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)[N+](=O)[O-])\O)/C(=O)C(=O)N2CC(=O)O)Cl |
Product Overview
3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one (CAS 425625-97-4), with molecular formula C19H13ClN2O7 and molecular weight 416.04 g/mol. IUPAC: 2-[(3E)-2-(4-chlorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid.
Chemical Property Profile of 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one
Property Insights of 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one
The XLogP value of 2.7545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one. Following Lipinski's Rule of Five, 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-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-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one?
The CAS number of 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one is 425625-97-4.
What is the molecular formula of 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one?
The molecular formula of 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one is C19H13ClN2O7.
What is the molecular weight of 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one?
The molecular weight of 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one is 416.04 g/mol.
Where can I buy 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one?
You can request a quote for 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-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-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-1-carboxymethyl-(4-nitrobenzoyl)-5-(4-chlorophenyl)-3-pyrroline-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.