CAS RN: 15639-50-6
L-THREO-DIHYDROSPHINGOSINE
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.20250720 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15639-50-6
- Purity/Analytical Methods: >99.0%
15639-50-6 / (2S,3S)-2-aminooctadecane-1,3-diol
Basic Information
CAS
15639-50-6
Multi CAS
No
Molecular Formula
C18H39NO2
Molecular Weight
301.500000
Exact Mass
301.298079
SMILES
CCCCCCCCCCCCCCC[C@@H]([C@H](CO)N)O
InChI
InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1
InChIKey
OTKJDMGTUTTYMP-ROUUACIJSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
3
H-bond donors
3
Molar refractivity
91.38
TPSA
66.48
LogP / Solubility
WLOGP
4.15
MLOGP
3.66
XLogP3
5.8
Consensus LogP
4.54
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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