CAS RN: 13028-54-1
1,6-Diazidohexane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260402 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS13028-54-1
- Purity/Analytical Methods: >99.0%
13028-54-1 / 1,6-diazidohexane
Basic Information
CAS
13028-54-1
Multi CAS
No
Molecular Formula
C6H12N6
Molecular Weight
168.200000
Exact Mass
168.112344
SMILES
C(CCCN=[N+]=[N-])CCN=[N+]=[N-]
InChI
InChI=1S/C6H12N6/c7-11-9-5-3-1-2-4-6-10-12-8/h1-6H2
InChIKey
JEBPUSJPDDISRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
46.49
TPSA
97.52
LogP / Solubility
WLOGP
3.17
MLOGP
2.78
XLogP3
3.5
Consensus LogP
3.15
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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