4-(2,5-dioxopyrrol-1-yl)butanoic Acid
TL;DR: 4-(2,5-dioxopyrrol-1-yl)butanoic Acid (CAS 5708-79-2) is a chemical compound with molecular formula C28H21FN2O5S and molecular weight 516.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: 4-(2,5-dioxopyrrol-1-yl)butanoic Acid, methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, METHYL 4-[1-(4,6-DIMETHYLBENZOTHIAZOL-2-YL)-3-[(4-FLUOROPHENYL)-HYDROXY-METHYLIDENE]-4,5-DIOXO-PYRROLIDIN-2-YL]BENZOATE, Methyl 4-{1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
| Molecular Formula | C28H21FN2O5S |
|---|---|
| Molecular Weight | 516.12 g/mol |
| LogP | 5.46514 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.11554 |
| Heavy Atoms | 37 |
| Complexity | 1606.3452 |
Chemical Identifiers
| CAS Number | 5708-79-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC)C |
Product Overview
4-(2,5-dioxopyrrol-1-yl)butanoic Acid (CAS 5708-79-2), with molecular formula C28H21FN2O5S and molecular weight 516.12 g/mol. IUPAC: methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of 4-(2,5-dioxopyrrol-1-yl)butanoic Acid
Property Insights of 4-(2,5-dioxopyrrol-1-yl)butanoic Acid
The XLogP value of 5.46514 indicates that 4-(2,5-dioxopyrrol-1-yl)butanoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-dioxopyrrol-1-yl)butanoic Acid. Following Lipinski's Rule of Five, 4-(2,5-dioxopyrrol-1-yl)butanoic Acid 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 4-(2,5-dioxopyrrol-1-yl)butanoic Acid?
The CAS number of 4-(2,5-dioxopyrrol-1-yl)butanoic Acid is 5708-79-2.
What is the molecular formula of 4-(2,5-dioxopyrrol-1-yl)butanoic Acid?
The molecular formula of 4-(2,5-dioxopyrrol-1-yl)butanoic Acid is C28H21FN2O5S.
What is the molecular weight of 4-(2,5-dioxopyrrol-1-yl)butanoic Acid?
The molecular weight of 4-(2,5-dioxopyrrol-1-yl)butanoic Acid is 516.12 g/mol.
Where can I buy 4-(2,5-dioxopyrrol-1-yl)butanoic Acid?
You can request a quote for 4-(2,5-dioxopyrrol-1-yl)butanoic Acid 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-dioxopyrrol-1-yl)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dioxopyrrol-1-yl)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.