Sodium 2-{[(3-{3-[3-({bis[2-oxo-2-(sodiooxy)ethyl]amino}methyl)-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-1,1-dioxo-3H-2,1λ⁶-benzoxathiol-3-yl}-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl)methyl][2-oxo-2-(sodiooxy)ethyl]amino}acetate
Structure Info
- Chemspace ID
- CSSB06744598074 (In-Stock Building Blocks)
- MFCD
- MFCD00148905
- IUPAC Name
- sodium 2-{[(3-{3-[3-({bis[2-oxo-2-(sodiooxy)ethyl]amino}methyl)-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-1,1-dioxo-3H-2,1λ⁶-benzoxathiol-3-yl}-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl)methyl][2-oxo-2-(sodiooxy)ethyl]amino}acetate
- Mol formula
- C37H40N2Na4O13S
- Mol weight
- 845 Da
- Catalog Number(s)
- CS-0169083, F554968, HY-W110904, M338655
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.61
- Heavy atoms count
- 57
- Rotatable bond count
- 20
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.405
- Polar surface area (Å)
- 196
- Hydrogen bond acceptors count
- 10
- Hydrogen bond donors count
- 2
![Chemical structure of Sodium 2-{[(3-{3-[3-({bis[2-oxo-2-(sodiooxy)ethyl]amino}methyl)-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-1,1-dioxo-3H-2,1λ⁶-benzoxathiol-3-yl}-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl)methyl][2-oxo-2-(sodiooxy)ethyl]amino}acetate (C37H40N2Na4O13S) - CSSB06744598074](/st/structure/200/b6bb543d3b93ae8f368808c0be547ae4/CC%2528C%2529c1cc%2528c%2528C%2529c%2528CN%2528CC%2528%253DO%2529O%255BNa%255D%2529CC%2528%253DO%2529O%255BNa%255D%2529c1O%2529C1%2528OS%2528%253DO%2529%2528%253DO%2529c2ccccc12%2529c1cc%2528C%2528C%2529C%2529c%2528O%2529c%2528CN%2528CC%2528%253DO%2529O%255BNa%255D%2529CC%2528%253DO%2529O%255BNa%255D%2529c1C.png "C37H40N2Na4O13S")
- Zoom the structure
- CSSB06744598074
Items Overall 6 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| ChemScene CN | 5 days | China To: | 90 | 5 g | 10.00 | |
| ChemScene CN | 5 days | China To: | 90 | 25 g | 25.00 | |
| ChemScene CN | 5 days | China To: | 90 | 100 g | 99.00 | |
| ChemScene CN | 5 days | China To: | 90 | 500 g | 395.00 | |
Description: Methylthymol blue (tetrasodium); CAS: 1945-77-3 | ||||||
| ChemScene LLC | 15 days | United States To: | 90 | 5 g | 10.00 | |
| ChemScene LLC | 15 days | United States To: | 90 | 25 g | 25.00 | |
Description: Methylthymol blue (tetrasodium); CAS: 1945-77-3 | ||||||
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