4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one (CAS 309738-20-3) is a chemical compound with molecular formula C26H31NO3 and molecular weight 405.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-hexyl-4-[hydroxy(phenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Also Known As: ChemDiv1_026291, 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one, (4E)-1-hexyl-4-[hydroxy(phenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione, (4E)-1-hexyl-4-[hydroxy(phenyl)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
| Molecular Formula | C26H31NO3 |
|---|---|
| Molecular Weight | 405.23 g/mol |
| LogP | 5.812 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.2304 |
| Heavy Atoms | 30 |
| Complexity | 913.0547 |
Chemical Identifiers
| CAS Number | 309738-20-3 |
|---|---|
| SMILES | CCCCCCN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC=C(C=C3)C(C)C |
Product Overview
4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one (CAS 309738-20-3), with molecular formula C26H31NO3 and molecular weight 405.23 g/mol. IUPAC: (4E)-1-hexyl-4-[hydroxy(phenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 5.812 indicates that 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one is 309738-20-3.
What is the molecular formula of 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one is C26H31NO3.
What is the molecular weight of 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one is 405.23 g/mol.
Where can I buy 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-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-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzoyl-1-hexyl-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.