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: 6
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 1421783-42-7
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
-- |
2
In Stock
|
Shenzhen |
Inquiry |
| 0.1g |
>97% |
2
In Stock
|
Shanghai |
Inquiry |
| 0.25g |
-- |
2
In Stock
|
Shenzhen |
Inquiry |
| 0.25g |
>97% |
2
In Stock
|
Shanghai |
Inquiry |
| 1g |
-- |
2
In Stock
|
Shanghai |
Inquiry |
| 1g |
>97% |
2
In Stock
|
Beijing |
Inquiry |
1421783-42-7 / 1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
Standard CAS: 1421783-42-7
Multi CAS: No
Basic Information
CAS
1421783-42-7
Multi CAS
No
Molecular Formula
C22H44N6O10
Molecular Weight
552.600000
Exact Mass
552.311892
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C22H44N6O10/c23-27-25-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-26-28-24/h1-22H2
InChIKey
NLHKJEYZBGTRDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
1
Rotatable bonds
33
H-bond acceptors
12
Molar refractivity
136.22
TPSA
189.82
LogP / Solubility
WLOGP
1.77
MLOGP
1.6
XLogP3
0.6
Consensus LogP
1.32
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.83
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4