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CAS 67177-07-5 N-(3-hydroxypropyl)stearamide molecular structure lightbox
CAS RN: 67177-07-5

N-(3-hydroxypropyl)stearamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS67177-07-5
  • Purity/Analytical Methods: >99.0%
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67177-07-5 / N-(3-hydroxypropyl)octadecanamide

Standard CAS: 67177-07-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67177-07-5
Multi CAS
No
Molecular Formula
C21H43NO2
Molecular Weight
341.600000
Exact Mass
341.329380
InChI
InChI=1S/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23/h23H,2-20H2,1H3,(H,22,24)
InChIKey
GTBODJTVLNPEEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
2
H-bond donors
2
Molar refractivity
104.26
TPSA
49.33

LogP / Solubility

WLOGP
5.75
MLOGP
5.07
XLogP3
7.6
Consensus LogP
6.14
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.93
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
No
Log Kp (skin permeation)
-0.72

Drug-likeness / Medicinal Chemistry

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

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