CAS RN: 5466-22-8
Aminoacetonitrile Sulfate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-162432
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: 100g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 100g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
5466-22-8 / cyanomethylazanium;sulfate
Basic Information
CAS
5466-22-8
Multi CAS
Yes
Molecular Formula
C4H10N4O4S
Molecular Weight
210.210000
Exact Mass
210.042276
InChI
InChI=1S/2C2H4N2.H2O4S/c2*3-1-2-4;1-5(2,3)4/h2*1,3H2;(H2,1,2,3,4)
InChIKey
NQHWLBZZBSYIPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
37.21
TPSA
183.12
LogP / Solubility
WLOGP
-3.83
MLOGP
-3.37
XLogP3
-3.83
Consensus LogP
-3.68
Log S (ESOL)
1.27
Class (ESOL)
Highly soluble
Log S (Ali)
1.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.16
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-6.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
