![CAS 128850-89-5 N-[(3-TRIMETHOXYSILYL)PROPYL]ETHYLENEDIAMINE TRIACETIC ACID TRISODIUM SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/128850-89-5.gif)
CAS RN: 128850-89-5
N-[(3-TRIMETHOXYSILYL)PROPYL]ETHYLENEDIAMINE TRIACETIC ACID TRISODIUM SALT
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251006 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
- Product code: SSC-035978
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
128850-89-5 / trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(3-trimethoxysilylpropyl)amino]acetate
Basic Information
CAS
128850-89-5
Multi CAS
No
Molecular Formula
C14H25N2Na3O9Si
Molecular Weight
462.410000
Exact Mass
462.102240
SMILES
CO[Si](CCCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])(OC)OC.[Na+].[Na+].[Na+]
InChI
InChI=1S/C14H28N2O9Si.3Na/c1-23-26(24-2,25-3)8-4-5-15(9-12(17)18)6-7-16(10-13(19)20)11-14(21)22;;;/h4-11H2,1-3H3,(H,17,18)(H,19,20)(H,21,22);;;/q;3*+1/p-3
InChIKey
FRGBDYDAIWEXJX-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.79
Rotatable bonds
16
H-bond acceptors
11
Molar refractivity
84.11
TPSA
154.56
LogP / Solubility
WLOGP
-13.88
MLOGP
-12.18
XLogP3
-13.88
Consensus LogP
-13.31
Log S (ESOL)
7.09
Class (ESOL)
Highly soluble
Log S (Ali)
6.67
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.93
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-15.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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