Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g
- Available purity: 99.99%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 17926-77-1
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 1g |
99.99% |
5
In Stock
|
Beijing |
Inquiry |
| 5g |
99.99% |
5
In Stock
|
Shanghai |
Inquiry |
17926-77-1 / bis(scandium(3+));tricarbonate;hydrate
Standard CAS: 17926-77-1
Multi CAS: No
Basic Information
CAS
17926-77-1
Multi CAS
No
Molecular Formula
C3H2O10Sc2
Molecular Weight
287.950000
Exact Mass
287.876610
SMILES
C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Sc+3].[Sc+3]
InChI
InChI=1S/3CH2O3.H2O.2Sc/c3*2-1(3)4;;;/h3*(H2,2,3,4);1H2;;/q;;;;2*+3/p-6
InChIKey
UBDSVBJUAOGPNM-UHFFFAOYSA-H
Computed Properties
Structural Parameters
Heavy atom count
15
H-bond acceptors
9
H-bond donors
1
Molar refractivity
19.8
TPSA
221.07
LogP / Solubility
WLOGP
-8.17
MLOGP
-7.18
XLogP3
-8.17
Consensus LogP
-7.84
Log S (ESOL)
3.52
Class (ESOL)
Highly soluble
Log S (Ali)
3.98
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.25
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)
-10.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501