CAS RN: 7321-55-3
Dimethylmalononitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 200mg / 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Shanghai, Hebei, Guangdong | Inquiry |
- Product code: SSC-182673
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: 5g, 10g
- 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.
7321-55-3 / 2,2-dimethylpropanedinitrile
Basic Information
CAS
7321-55-3
Multi CAS
No
Molecular Formula
C5H6N2
Molecular Weight
94.110000
Exact Mass
94.053098
InChI
InChI=1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
InChIKey
BCMJJXWXMZYZKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.6
H-bond acceptors
2
Molar refractivity
25.01
TPSA
47.58
LogP / Solubility
WLOGP
1.06
MLOGP
0.92
XLogP3
0.8
Consensus LogP
0.93
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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