4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 618076-99-6) is a chemical compound with molecular formula C20H21BrN2O4S2 and molecular weight 496.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[(5Z)-5-(5-bromo-2-oxo-1-pentyl-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid, 4-((5Z)-5-(5-BROMO-2-OXO-1-PENTYL-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BUTANOIC ACID, 4-[(5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 645-876-0
| Molecular Formula | C20H21BrN2O4S2 |
|---|---|
| Molecular Weight | 496.01 g/mol |
| LogP | 4.4221 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.0126 |
| Heavy Atoms | 29 |
| Complexity | 915.7423 |
Chemical Identifiers
| CAS Number | 618076-99-6 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCCC(=O)O)/C1=O |
Product Overview
4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 618076-99-6), with molecular formula C20H21BrN2O4S2 and molecular weight 496.01 g/mol. IUPAC: 4-[(5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 4.4221 indicates that 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid has 1 hydrogen bond donor(s) and 5 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-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 618076-99-6.
What is the molecular formula of 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is C20H21BrN2O4S2.
What is the molecular weight of 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 496.01 g/mol.
Where can I buy 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-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-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(5-Bromo-2-oxo-1-pentylindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.