Verified Factory Data
Supply Overview & Packaging Options
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: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
1292268-15-5 / tert-butyl N-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
1292268-15-5
Multi CAS
No
Molecular Formula
C19H38N4O8
Molecular Weight
450.500000
Exact Mass
450.268964
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C19H38N4O8/c1-19(2,3)31-18(24)21-4-6-25-8-10-27-12-14-29-16-17-30-15-13-28-11-9-26-7-5-22-23-20/h4-17H2,1-3H3,(H,21,24)
InChIKey
NICFUXNQYXFEQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.95
Rotatable bonds
21
H-bond acceptors
9
H-bond donors
1
Molar refractivity
113.16
TPSA
142.47
LogP / Solubility
WLOGP
1.92
MLOGP
1.72
XLogP3
0.9
Consensus LogP
1.51
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.7
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)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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