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CAS 53832-58-9 Pentadecanoyl Ethanolamide Exclusive molecular structure lightbox
CAS RN: 53832-58-9

Pentadecanoyl Ethanolamide Exclusive

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260524 5mg / 10mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS53832-58-9
  • Purity/Analytical Methods: >99.0%
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53832-58-9 / N-(2-hydroxyethyl)pentadecanamide

Standard CAS: 53832-58-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53832-58-9
Multi CAS
No
Molecular Formula
C17H35NO2
Molecular Weight
285.500000
Exact Mass
285.266779
InChI
InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18-15-16-19/h19H,2-16H2,1H3,(H,18,20)
InChIKey
UHPXXKLAACDXGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
2
Molar refractivity
85.79
TPSA
49.33

LogP / Solubility

WLOGP
4.19
MLOGP
3.69
XLogP3
5.6
Consensus LogP
4.49
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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