CAS RN: 887405-21-2

(15Z)-N-(2-Hydroxyethyl)-15-tetracosenaMide

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Batchno.20250620 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS887405-21-2
  • Purity/Analytical Methods: >99.0%
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887405-21-2 / (Z)-N-(2-hydroxyethyl)tetracos-15-enamide

Standard CAS: 887405-21-2 Multi CAS: Yes

Basic Information

CAS
887405-21-2
Multi CAS
Yes
Molecular Formula
C26H51NO2
Molecular Weight
409.700000
Exact Mass
409.391980
InChI
InChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28/h9-10,28H,2-8,11-25H2,1H3,(H,27,29)/b10-9-
InChIKey
LISKWSFNVJTQKH-KTKRTIGZSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.88
Rotatable bonds
23
H-bond acceptors
2
H-bond donors
2
Molar refractivity
127.25
TPSA
49.33

LogP / Solubility

WLOGP
7.47
MLOGP
6.6
XLogP3
9.6
Consensus LogP
7.89
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.29
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)
0.09

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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