5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 371211-75-5) is a chemical compound with molecular formula C22H17Cl2N3O4S and molecular weight 489.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3,4-dichlorophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one, (4E)-5-(3,4-dichlorophenyl)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, (4E)-5-(3,4-dichlorophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, 5-(3,4-DICHLOROPHENYL)-4-(4-ETHOXYBENZOYL)-3-HYDROXY-1-(5-METHYL-1,3,4-THIADIAZOL-2-YL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 5-(3,4-dichlorophenyl)-4-[(4-ethoxyphenyl)carbonyl]-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H17Cl2N3O4S |
|---|---|
| Molecular Weight | 489.03 g/mol |
| LogP | 5.17832 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.03168 |
| Heavy Atoms | 32 |
| Complexity | 1240.2279 |
Chemical Identifiers
| CAS Number | 371211-75-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC(=C(C=C4)Cl)Cl)/O |
Product Overview
5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 371211-75-5), with molecular formula C22H17Cl2N3O4S and molecular weight 489.03 g/mol. IUPAC: (4E)-5-(3,4-dichlorophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 5.17832 indicates that 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is 371211-75-5.
What is the molecular formula of 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is C22H17Cl2N3O4S.
What is the molecular weight of 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is 489.03 g/mol.
Where can I buy 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-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-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.