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CAS 1506-54-3 N-(N-OCTADECYL)ACRYLAMIDE molecular structure lightbox
CAS RN: 1506-54-3

N-(N-OCTADECYL)ACRYLAMIDE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250104 100g Out of stock 8-10 business days Inquiry
Batchno.20250216 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250403 25g In stock Shandong, Hebei Inquiry
Batchno.20250315 5g In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1506-54-3
  • Purity/Analytical Methods: >99.0%
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1506-54-3 / N-octadecylprop-2-enamide

Standard CAS: 1506-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1506-54-3
Multi CAS
No
Molecular Formula
C21H41NO
Molecular Weight
323.600000
Exact Mass
323.318815
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
InChI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InChIKey
CNWVYEGPPMQTKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.86
Rotatable bonds
18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
102.75
TPSA
29.1

LogP / Solubility

WLOGP
6.55
MLOGP
5.78
XLogP3
9
Consensus LogP
7.11
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
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)
-0.04

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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