CAS RN: 7112-02-9
N-(2-Hydroxyethyl)octanamide
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.20251001 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS7112-02-9
- Purity/Analytical Methods: >99.0%
7112-02-9 / N-(2-hydroxyethyl)octanamide
Basic Information
CAS
7112-02-9
Multi CAS
No
Molecular Formula
C10H21NO2
Molecular Weight
187.280000
Exact Mass
187.157229
InChI
InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-10(13)11-8-9-12/h12H,2-9H2,1H3,(H,11,13)
InChIKey
GSILMNFJLONLCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.47
TPSA
49.33
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
XLogP3
1.9
Consensus LogP
1.55
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.83
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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