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 |
6869-07-4 / 2-[2-(2-cyanopropan-2-yl)hydrazinyl]-2-methylpropanenitrile
Basic Information
CAS
6869-07-4
Multi CAS
Yes
Molecular Formula
C8H14N4
Molecular Weight
166.220000
Exact Mass
166.121846
InChI
InChI=1S/C8H14N4/c1-7(2,5-9)11-12-8(3,4)6-10/h11-12H,1-4H3
InChIKey
HOSVESHQDSFAST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.66
TPSA
71.64
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
0.3
Consensus LogP
0.53
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
