CAS RN: 84213-57-0
N-(1-Cyano-1-methylethyl)isobutyramide
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.20250220 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS84213-57-0
- Purity/Analytical Methods: >99.0%
84213-57-0 / N-(2-cyanopropan-2-yl)-2-methylpropanamide
Basic Information
CAS
84213-57-0
Multi CAS
No
Molecular Formula
C8H14N2O
Molecular Weight
154.210000
Exact Mass
154.110613
InChI
InChI=1S/C8H14N2O/c1-6(2)7(11)10-8(3,4)5-9/h6H,1-4H3,(H,10,11)
InChIKey
JXIVOFHBAAZANY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.67
TPSA
52.89
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.91
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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