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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
1274892-60-2 / 2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Basic Information
CAS
1274892-60-2
Multi CAS
No
Molecular Formula
C14H29N3O7
Molecular Weight
351.400000
Exact Mass
351.200550
SMILES
C(COCCOCCOCCOCCOCCOCCO)N=[N+]=[N-]
InChI
InChI=1S/C14H29N3O7/c15-17-16-1-3-19-5-7-21-9-11-23-13-14-24-12-10-22-8-6-20-4-2-18/h18H,1-14H2
InChIKey
IKLKCSJOBKMTTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
8
H-bond donors
1
Molar refractivity
86.01
TPSA
124.37
LogP / Solubility
WLOGP
0.39
MLOGP
0.36
XLogP3
-0.4
Consensus LogP
0.12
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-4.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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