4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
TL;DR: 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 204756-98-9) is a chemical compound with molecular formula C28H22ClN3O4 and molecular weight 499.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenylpyrrolidine-2,3-dione
Also Known As: 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-phenylpyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenylpyrrolidine-2,3-dione, 4-[3-(4-Chloro-benzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one
| Molecular Formula | C28H22ClN3O4 |
|---|---|
| Molecular Weight | 499.13 g/mol |
| LogP | 4.76412 |
| Topological Polar Surface Area | 84.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.12988 |
| Heavy Atoms | 36 |
| Complexity | 1569.0363 |
Chemical Identifiers
| CAS Number | 204756-98-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(/C(=C(/C4=CC=C(C=C4)Cl)\O)/C(=O)C3=O)C5=CC=CC=C5 |
Product Overview
4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 204756-98-9), with molecular formula C28H22ClN3O4 and molecular weight 499.13 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Property Insights of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 4.76412 indicates that 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one. Following Lipinski's Rule of Five, 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one has 1 hydrogen bond donor(s) and 4 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-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 204756-98-9.
What is the molecular formula of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is C28H22ClN3O4.
What is the molecular weight of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 499.13 g/mol.
Where can I buy 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.