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CAS 50354-87-5 N-DODECYLOCTADECANAMIDE molecular structure lightbox
CAS RN: 50354-87-5

N-DODECYLOCTADECANAMIDE

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1 package records1 with current stock1 grade group
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Batchno.20260609 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS50354-87-5
  • Purity/Analytical Methods: >99.0%
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50354-87-5 / N-dodecyloctadecanamide

Standard CAS: 50354-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50354-87-5
Multi CAS
No
Molecular Formula
C30H61NO
Molecular Weight
451.800000
Exact Mass
451.475316
InChI
InChI=1S/C30H61NO/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(32)31-29-27-25-23-21-14-12-10-8-6-4-2/h3-29H2,1-2H3,(H,31,32)
InChIKey
WYZSGZLUHOZOIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.97
Rotatable bonds
27
H-bond acceptors
1
H-bond donors
1
Molar refractivity
144.4
TPSA
29.1

LogP / Solubility

WLOGP
10.28
MLOGP
9.08
XLogP3
13.5
Consensus LogP
10.95
Log S (ESOL)
-7.34
Class (ESOL)
Insoluble
Log S (Ali)
-10.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.37
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)
1.83

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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