CAS RN: 39581-22-1
2-CYANO-N-OCTYL-ACETAMIDE
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.20260514 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS39581-22-1
- Purity/Analytical Methods: >99.0%
39581-22-1 / 2-cyano-N-octylacetamide
Basic Information
CAS
39581-22-1
Multi CAS
No
Molecular Formula
C11H20N2O
Molecular Weight
196.290000
Exact Mass
196.157563
InChI
InChI=1S/C11H20N2O/c1-2-3-4-5-6-7-10-13-11(14)8-9-12/h2-8,10H2,1H3,(H,13,14)
InChIKey
LJXZSEPGWGOYCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.82
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.62
TPSA
52.89
LogP / Solubility
WLOGP
2.38
MLOGP
2.09
XLogP3
2.8
Consensus LogP
2.42
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly 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)
-2.23
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
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