CAS RN: 97465-69-5
Hydroxy-β-sanshool, Analytical reference
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.20250614 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai, Chongqing, Shandong | Inquiry |
- Product code: LINH889835
97465-69-5 / (2E,6E,8E,10E)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
Basic Information
CAS
97465-69-5
Multi CAS
Yes
Molecular Formula
C16H25NO2
Molecular Weight
263.370000
Exact Mass
263.188529
InChI
InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8+,13-12+
InChIKey
LHFKHAVGGJJQFF-UMYNZBAMSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
80.78
TPSA
49.33
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.8
Consensus LogP
2.75
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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