CAS RN: 189939-61-5
PALMITOYLISOPROPYLAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250630 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS189939-61-5
- Purity/Analytical Methods: >99.0%
189939-61-5 / N-propan-2-ylhexadecanamide
Basic Information
CAS
189939-61-5
Multi CAS
No
Molecular Formula
C19H39NO
Molecular Weight
297.500000
Exact Mass
297.303165
SMILES
CCCCCCCCCCCCCCCC(=O)NC(C)C
InChI
InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18(2)3/h18H,4-17H2,1-3H3,(H,20,21)
InChIKey
TZYVUGCYYQOTQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.95
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
93.59
TPSA
29.1
LogP / Solubility
WLOGP
5.99
MLOGP
5.28
XLogP3
7.7
Consensus LogP
6.32
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.28
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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