![(Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid structure](/static/products/896/896847-79-3.png)
(Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid
TL;DR: (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid (CAS 896847-79-3) is a chemical compound with molecular formula C21H16N4O4S and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(7Z)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoic acid
Also Known As: (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid, 4-[(7Z)-7-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid, 4-[(7Z)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoic acid
| Molecular Formula | C21H16N4O4S |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 1.12232 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.08923 |
| Heavy Atoms | 30 |
| Complexity | 1402.2385 |
Chemical Identifiers
| CAS Number | 896847-79-3 |
|---|---|
| SMILES | CC1=CC\2=C(C=C1)NC(=O)/C2=C\3/C(=O)N4CN(CN=C4S3)C5=CC=C(C=C5)C(=O)O |
Product Overview
(Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid (CAS 896847-79-3), with molecular formula C21H16N4O4S and molecular weight 420.09 g/mol. IUPAC: 4-[(7Z)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoic acid.
Chemical Property Profile of (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid
Property Insights of (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid
The XLogP value of 1.12232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic 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)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid?
The CAS number of (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid is 896847-79-3.
What is the molecular formula of (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid?
The molecular formula of (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid is C21H16N4O4S.
What is the molecular weight of (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid?
The molecular weight of (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid is 420.09 g/mol.
Where can I buy (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid?
You can request a quote for (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.