1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
TL;DR: 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 309276-25-3) is a chemical compound with molecular formula C22H21NO3 and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-prop-2-enylpyrrolidine-2,3-dione
Also Known As: 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one, A2119/0088949, (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-prop-2-enylpyrrolidine-2,3-dione, 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one, 3-HYDROXY-4-(4-METHYLBENZOYL)-5-(4-METHYLPHENYL)-1-(PROP-2-EN-1-YL)-2,5-DIHYDRO-1H-PYRROL-2-ONE
| Molecular Formula | C22H21NO3 |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 3.91114 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.15213 |
| Heavy Atoms | 26 |
| Complexity | 891.98956 |
Chemical Identifiers
| CAS Number | 309276-25-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)C)\O)/C(=O)C(=O)N2CC=C |
Product Overview
1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 309276-25-3), with molecular formula C22H21NO3 and molecular weight 347.15 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-prop-2-enylpyrrolidine-2,3-dione.
Chemical Property Profile of 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
Property Insights of 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
The XLogP value of 3.91114 indicates that 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-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, 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one has 1 hydrogen bond donor(s) and 3 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 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one?
The CAS number of 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one is 309276-25-3.
What is the molecular formula of 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular formula of 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one is C22H21NO3.
What is the molecular weight of 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular weight of 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one is 347.15 g/mol.
Where can I buy 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one?
You can request a quote for 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.