CAS RN: 207398-95-6
Disodium Iminodiacetate Hydrate
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.20250701 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-097653
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: 25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
207398-95-6 / disodium;2-(carboxylatomethylamino)acetate;hydrate
Basic Information
CAS
207398-95-6
Multi CAS
No
Molecular Formula
C4H7NNa2O5
Molecular Weight
195.080000
Exact Mass
195.011961
SMILES
C(C(=O)[O-])NCC(=O)[O-].O.[Na+].[Na+]
InChI
InChI=1S/C4H7NO4.2Na.H2O/c6-3(7)1-5-2-4(8)9;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;1H2/q;2*+1;/p-2
InChIKey
YSBGCHXLMBAKPV-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
26.5
TPSA
123.79
LogP / Solubility
WLOGP
-10.74
MLOGP
-9.45
XLogP3
-10.74
Consensus LogP
-10.31
Log S (ESOL)
5.98
Class (ESOL)
Highly soluble
Log S (Ali)
6.6
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.51
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)
-11.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
