4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 608095-01-8) is a chemical compound with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C22H19N3O4S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 3.79526 |
| Topological Polar Surface Area | 103.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.10962 |
| Heavy Atoms | 30 |
| Complexity | 1197.3467 |
Chemical Identifiers
| CAS Number | 608095-01-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)O)/O |
Product Overview
4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 608095-01-8), with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol. IUPAC: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 3.79526 indicates that 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-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 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 608095-01-8.
What is the molecular formula of 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one is C22H19N3O4S.
What is the molecular weight of 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 421.11 g/mol.
Where can I buy 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-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 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.