2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
TL;DR: 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid (CAS 618076-91-8) is a chemical compound with molecular formula C17H17BrN2O5S3 and molecular weight 503.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5Z)-5-(5-bromo-1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-((5Z)-5-(5-Bromo-1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)ethanesulfonic acid, 2-[(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 645-832-0
| Molecular Formula | C17H17BrN2O5S3 |
|---|---|
| Molecular Weight | 503.95 g/mol |
| LogP | 3.055 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.9483 |
| Heavy Atoms | 28 |
| Complexity | 1006.0453 |
Chemical Identifiers
| CAS Number | 618076-91-8 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)O)/C1=O |
Product Overview
2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid (CAS 618076-91-8), with molecular formula C17H17BrN2O5S3 and molecular weight 503.95 g/mol. IUPAC: 2-[(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
Property Insights of 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
The XLogP value of 3.055 indicates that 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid. Following Lipinski's Rule of Five, 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
The CAS number of 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid is 618076-91-8.
What is the molecular formula of 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
The molecular formula of 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid is C17H17BrN2O5S3.
What is the molecular weight of 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
The molecular weight of 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid is 503.95 g/mol.
Where can I buy 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
You can request a quote for 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.