![4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one structure](/static/products/618/618073-48-6.png)
4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 618073-48-6) is a chemical compound with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione
| Molecular Formula | C23H22N4O4S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 4.0815 |
| Topological Polar Surface Area | 105.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.13617 |
| Heavy Atoms | 32 |
| Complexity | 1172.2218 |
Chemical Identifiers
| CAS Number | 618073-48-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)C(C)C)C4=CN=CC=C4)/O |
Product Overview
4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 618073-48-6), with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol. IUPAC: (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.0815 indicates that 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 8 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-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is 618073-48-6.
What is the molecular formula of 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is C23H22N4O4S.
What is the molecular weight of 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one is 450.14 g/mol.
Where can I buy 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-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-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-ethoxybenzoyl)-3-hydroxy-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.