CAS RN: 83883-10-7

Hydroxy-alpha-sanshool, analytical reference

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7 package records7 with current stock2 grade groups
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Batchno.20260125 100mg In stock Shanghai Inquiry
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Batchno.20260123 250mg In stock Shanghai Inquiry
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  • Product code: LINH889800
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83883-10-7 / (2E,6Z,8E,10E)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide

Standard CAS: 83883-10-7 Multi CAS: Yes

Basic Information

CAS
83883-10-7
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-UEOYEZOQSA-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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