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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
122161-09-5 / 11-azidoundecan-1-ol
Basic Information
CAS
122161-09-5
Multi CAS
No
Molecular Formula
C11H23N3O
Molecular Weight
213.320000
Exact Mass
213.184112
SMILES
C(CCCCCN=[N+]=[N-])CCCCCO
InChI
InChI=1S/C11H23N3O/c12-14-13-10-8-6-4-2-1-3-5-7-9-11-15/h15H,1-11H2
InChIKey
KHYJKWLDKUVWLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.65
TPSA
68.99
LogP / Solubility
WLOGP
3.8
MLOGP
3.35
XLogP3
4.6
Consensus LogP
3.92
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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