CAS RN: 4550-68-9
N-(1-CYANOCYCLOHEXYL)ACETAMIDE
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.20260214 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS4550-68-9
- Purity/Analytical Methods: >99.0%
4550-68-9 / N-(1-cyanocyclohexyl)acetamide
Basic Information
CAS
4550-68-9
Multi CAS
No
Molecular Formula
C9H14N2O
Molecular Weight
166.220000
Exact Mass
166.110613
InChI
InChI=1S/C9H14N2O/c1-8(12)11-9(7-10)5-3-2-4-6-9/h2-6H2,1H3,(H,11,12)
InChIKey
HJKUYXOMJJUMLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.25
TPSA
52.89
LogP / Solubility
WLOGP
1.35
MLOGP
1.18
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.78
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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