CAS RN: 780729-32-0
Fingolimod EP Impurity D
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.20250901 | 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS780729-32-0
- Purity/Analytical Methods: >99.0%
780729-32-0 / 2-amino-2-[2-(4-decylphenyl)ethyl]propane-1,3-diol
Basic Information
CAS
780729-32-0
Multi CAS
No
Molecular Formula
C21H37NO2
Molecular Weight
335.500000
Exact Mass
335.282429
InChI
InChI=1S/C21H37NO2/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)15-16-21(22,17-23)18-24/h11-14,23-24H,2-10,15-18,22H2,1H3
InChIKey
JXAKCYOWWFCUAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
3
Molar refractivity
102.17
TPSA
66.48
LogP / Solubility
WLOGP
3.98
MLOGP
3.52
XLogP3
5.2
Consensus LogP
4.23
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.83
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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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