5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one
TL;DR: 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one (CAS 425422-99-7) is a chemical compound with molecular formula C21H20BrNO4 and molecular weight 429.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione
Also Known As: 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one, (4E)-5-(4-bromophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione, (4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione, 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one, 5-(4-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione
| Molecular Formula | C21H20BrNO4 |
|---|---|
| Molecular Weight | 429.06 g/mol |
| LogP | 3.56162 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.05756 |
| Heavy Atoms | 27 |
| Complexity | 887.4025 |
Chemical Identifiers
| CAS Number | 425422-99-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCO)C3=CC=C(C=C3)Br)/O |
Product Overview
5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one (CAS 425422-99-7), with molecular formula C21H20BrNO4 and molecular weight 429.06 g/mol. IUPAC: (4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one
Property Insights of 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.56162 indicates that 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one has 2 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 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
The CAS number of 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one is 425422-99-7.
What is the molecular formula of 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one is C21H20BrNO4.
What is the molecular weight of 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one is 429.06 g/mol.
Where can I buy 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-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 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.