CAS RN: 56630-41-2
N,N-Dibutyl-9-octadecenamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS56630-41-2
- Purity/Analytical Methods: >99.0%
56630-41-2 / N,N-dibutyloctadec-9-enamide
Basic Information
CAS
56630-41-2
Multi CAS
Yes
Molecular Formula
C26H51NO
Molecular Weight
393.700000
Exact Mass
393.397065
InChI
InChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3/b16-15+
InChIKey
YMGHPIVBMBXPCR-FOCLMDBBSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.88
Rotatable bonds
21
H-bond acceptors
1
Molar refractivity
125.85
TPSA
20.31
LogP / Solubility
WLOGP
8.45
MLOGP
7.46
XLogP3
9.7
Consensus LogP
8.54
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-8.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.75
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)
0.88
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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