(Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid
TL;DR: (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid (CAS 304863-99-8) is a chemical compound with molecular formula C18H16N2O6S2 and molecular weight 420.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Also Known As: (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid, 2-[(5Z)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid, 2-{(5Z)-5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-methylbutanoic acid, 2-{5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-methylbutanoic acid, 2-{5-[1-(carboxymethyl)-2-oxobenzo[d]azolin-3-ylidene]-4-oxo-2-thioxo(1,3-thia zolidin-3-yl)}-3-methylbutanoic acid
| Molecular Formula | C18H16N2O6S2 |
|---|---|
| Molecular Weight | 420.04 g/mol |
| LogP | 1.7984 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.04498 |
| Heavy Atoms | 28 |
| Complexity | 955.1492 |
Chemical Identifiers
| CAS Number | 304863-99-8 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)O)/SC1=S |
Product Overview
(Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid (CAS 304863-99-8), with molecular formula C18H16N2O6S2 and molecular weight 420.04 g/mol. IUPAC: 2-[(5Z)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid
Property Insights of (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid
The XLogP value of 1.7984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid. Following Lipinski's Rule of Five, (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid has 2 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 (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid?
The CAS number of (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid is 304863-99-8.
What is the molecular formula of (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid?
The molecular formula of (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid is C18H16N2O6S2.
What is the molecular weight of (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid?
The molecular weight of (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid is 420.04 g/mol.
Where can I buy (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid?
You can request a quote for (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.