![4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione structure](/static/products/6615/6615-73-2.webp)
4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
TL;DR: 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione (CAS 6615-73-2) is a chemical compound with molecular formula C31H28FN3O4S2 and molecular weight 589.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Also Known As: 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione, 4-[(4-BUTOXYPHENYL)(HYDROXY)METHYLIDENE]-5-(2-FLUOROPHENYL)-1-(5-{[(4-METHYLPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)PYRROLIDINE-2,3-DIONE
| Molecular Formula | C31H28FN3O4S2 |
|---|---|
| Molecular Weight | 589.15 g/mol |
| LogP | 7.08312 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 589.1505 |
| Heavy Atoms | 41 |
| Complexity | 1585.6681 |
Chemical Identifiers
| CAS Number | 6615-73-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=C(C=C4)C)C5=CC=CC=C5F)O |
Product Overview
4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione (CAS 6615-73-2), with molecular formula C31H28FN3O4S2 and molecular weight 589.15 g/mol. IUPAC: 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione.
Chemical Property Profile of 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Property Insights of 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
The XLogP value of 7.08312 indicates that 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione 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 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
The CAS number of 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is 6615-73-2.
What is the molecular formula of 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
The molecular formula of 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is C31H28FN3O4S2.
What is the molecular weight of 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
The molecular weight of 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione is 589.15 g/mol.
Where can I buy 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
You can request a quote for 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.