![CAS 2411-89-4 Phthalein Complexon [Chelating Indicator] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c0405-jpgcontextbwfzdgvyfhjvb3r8mzcxotn8aw1hz2uvanblz3xozjuvadg1lzg5mjkyodcwmtizodivqza0mduuanbnfdizzjq0ytc0mtiyogvlodu1odq2zwfjnzk0ndy1mjm0owu4ntm4ymfkzty0nmzknzq5zjvinjdimzczytljnjk.jpeg)
CAS RN: 2411-89-4
Phthalein Complexon [Chelating Indicator]
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock6 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250511 | 100ml | In stock | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250210 | 1g | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260619 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Chongqing, Guangdong | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250623 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: ICTC0405
- Purity/Analytical Methods: >97.0%(T)
2411-89-4 / 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
Basic Information
CAS
2411-89-4
Multi CAS
No
Molecular Formula
C32H32N2O12
Molecular Weight
636.600000
Exact Mass
636.195524
SMILES
CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChIKey
IYZPEGVSBUNMBE-UHFFFAOYSA-N
Physical Properties
Physical Description
Light brown powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
6
Molar refractivity
158.52
TPSA
222.44
LogP / Solubility
WLOGP
2.12
MLOGP
1.92
XLogP3
-2
Consensus LogP
0.68
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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