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: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 2151823-08-2
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
>97% |
2
In Stock
|
Shenzhen |
Inquiry |
| 0.25g |
>97% |
2
In Stock
|
Shanghai |
Inquiry |
| 1g |
>97% |
2
In Stock
|
Shanghai |
Inquiry |
2151823-08-2 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
Standard CAS: 2151823-08-2
Multi CAS: No
Basic Information
CAS
2151823-08-2
Multi CAS
No
Molecular Formula
C49H101NO24
Molecular Weight
1088.300000
Exact Mass
1087.671353
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C49H101NO24/c1-51-4-5-53-8-9-55-12-13-57-16-17-59-20-21-61-24-25-63-28-29-65-32-33-67-36-37-69-40-41-71-44-45-73-48-49-74-47-46-72-43-42-70-39-38-68-35-34-66-31-30-64-27-26-62-23-22-60-19-18-58-15-14-56-11-10-54-7-6-52-3-2-50/h2-50H2,1H3
InChIKey
OAYCKRSBSZUIGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
74
Fraction Csp3
1
Rotatable bonds
71
H-bond acceptors
25
H-bond donors
1
Molar refractivity
269.77
TPSA
247.54
LogP / Solubility
WLOGP
-0.03
MLOGP
0.08
XLogP3
-4.3
Consensus LogP
-1.42
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-8.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.23
Class (SILICOS-IT)
Insoluble
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)
-9.38
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4