CAS RN: 5299-68-3
1-Hexadecanone,1-(4-morpholinyl)-
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.20250222 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS5299-68-3
- Purity/Analytical Methods: >99.0%
5299-68-3 / 1-morpholin-4-ylhexadecan-1-one
Basic Information
CAS
5299-68-3
Multi CAS
Yes
Molecular Formula
C20H39NO2
Molecular Weight
325.500000
Exact Mass
325.298079
InChI
InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)21-16-18-23-19-17-21/h2-19H2,1H3
InChIKey
CSXWLOVEZJWZMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.95
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
97.71
TPSA
29.54
LogP / Solubility
WLOGP
5.33
MLOGP
4.7
XLogP3
6.7
Consensus LogP
5.58
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
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)
-0.92
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
2.5
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