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CAS 94421-69-9 ARACHIDOYL ETHANOLAMIDE molecular structure lightbox
CAS RN: 94421-69-9

ARACHIDOYL ETHANOLAMIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS94421-69-9
  • Purity/Analytical Methods: >99.0%
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94421-69-9 / N-(2-hydroxyethyl)icosanamide

Standard CAS: 94421-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94421-69-9
Multi CAS
No
Molecular Formula
C22H45NO2
Molecular Weight
355.600000
Exact Mass
355.345030
InChI
InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-21H2,1H3,(H,23,25)
InChIKey
AUJVQJHODMISJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.95
Rotatable bonds
20
H-bond acceptors
2
H-bond donors
2
Molar refractivity
108.88
TPSA
49.33

LogP / Solubility

WLOGP
6.14
MLOGP
5.42
XLogP3
8.3
Consensus LogP
6.62
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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