5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid
TL;DR: 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid (CAS 405920-71-0) is a chemical compound with molecular formula C15H9BrN2O5S2 and molecular weight 439.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, [5-(1-Acetyl-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, 2-[5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C15H9BrN2O5S2 |
|---|---|
| Molecular Weight | 439.91 g/mol |
| LogP | 1.9982 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 439.91364 |
| Heavy Atoms | 25 |
| Complexity | 911.18286 |
Chemical Identifiers
| CAS Number | 405920-71-0 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=C(C=C2)Br)C(=C3C(=O)N(C(=S)S3)CC(=O)O)C1=O |
Product Overview
5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid (CAS 405920-71-0), with molecular formula C15H9BrN2O5S2 and molecular weight 439.91 g/mol. IUPAC: 2-[5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid
Property Insights of 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid
The XLogP value of 1.9982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid. Following Lipinski's Rule of Five, 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid has 1 hydrogen bond donor(s) and 6 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 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid?
The CAS number of 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid is 405920-71-0.
What is the molecular formula of 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid?
The molecular formula of 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid is C15H9BrN2O5S2.
What is the molecular weight of 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid?
The molecular weight of 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid is 439.91 g/mol.
Where can I buy 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid?
You can request a quote for 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Acetyl-5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.