1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 608091-14-1) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.60286 |
| Topological Polar Surface Area | 107.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1337.3271 |
Chemical Identifiers
| CAS Number | 608091-14-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)C)C)C4=CC=C(C=C4)O)/O |
Product Overview
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 608091-14-1), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.60286 indicates that 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one has 2 hydrogen bond donor(s) and 7 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-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 608091-14-1.
What is the molecular formula of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is C25H22N2O5S.
What is the molecular weight of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 462.12 g/mol.
Where can I buy 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-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-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.