CAS RN: 1246298-57-6
N-palMitoyl-1-desoxyMethylsphingosine (M17:1/16:0)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250921 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1246298-57-6
- Purity/Analytical Methods: >99.0%
1246298-57-6 / N-[(E,2R)-2-hydroxyheptadec-3-enyl]hexadecanamide
Basic Information
CAS
1246298-57-6
Multi CAS
No
Molecular Formula
C33H65NO2
Molecular Weight
507.900000
Exact Mass
507.501530
SMILES
CCCCCCCCCCCCCCCC(=O)NC[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C33H65NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(35)31-34-33(36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32,35H,3-26,28,30-31H2,1-2H3,(H,34,36)/b29-27+/t32-/m1/s1
InChIKey
RMAWKILAWRQSBQ-XBSMHFKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.91
Rotatable bonds
29
H-bond acceptors
2
H-bond donors
2
Molar refractivity
159.55
TPSA
49.33
LogP / Solubility
WLOGP
10.2
MLOGP
9.01
XLogP3
13.5
Consensus LogP
10.9
Log S (ESOL)
-7.5
Class (ESOL)
Insoluble
Log S (Ali)
-11.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.91
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)
1.43
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 1246303-14-9 (1R,2R)-N-([S]-1-{4-[5-broMo-2-oxo-2,3-dihydro-1H-benzo(d)iMidazol-1-yl]piperidin-1-yl}propan-2-yl)-2-phenylcyclopropanecarboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246303-14-9.gif)
