CAS RN: 474943-68-5
N-acetoyl-ceraMide-1-phosphate (aMMoniuM salt)
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.20260125 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS474943-68-5
- Purity/Analytical Methods: >99.0%
474943-68-5 / azanium [(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enyl] hydrogen phosphate
Basic Information
CAS
474943-68-5
Multi CAS
Yes
Molecular Formula
C20H43N2O6P
Molecular Weight
438.500000
Exact Mass
438.285874
InChI
InChI=1S/C20H40NO6P.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17-27-28(24,25)26;/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26);1H3/b16-15+;/t19-,20+;/m0./s1
InChIKey
RLNAXSSXIQXSCV-AQCNXKLSSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.85
Rotatable bonds
18
H-bond acceptors
5
H-bond donors
4
Molar refractivity
115.59
TPSA
155.42
LogP / Solubility
WLOGP
3.96
MLOGP
3.52
XLogP3
3.96
Consensus LogP
3.81
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 474944-16-6 1,2-dipalMitoyl-sn-glycero-3-phosphoethanolaMine-N-[3-(2-pyridyldithio)propionate] (sodiuM salt) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/474944-16-6.gif)
![CAS 474944-36-0 7-[(3R)-3-[[(1,1-diMethylethyl)diMethylsilyl]oxy]-5-oxo-1-cyclopenten-1-yl]-(5Z)-Heptenoic acid-1-Methylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/474944-36-0.gif)
