CAS RN: 25597-07-3
MYRISTOYL-L-CARNITINE
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.20260324 | 5mg | In stock | Shanghai, Shandong, Hebei | Inquiry |
- Product code: starshine_CAS25597-07-3
- Purity/Analytical Methods: >99.0%
25597-07-3 / 3-tetradecanoyloxy-4-(trimethylazaniumyl)butanoate
Basic Information
CAS
25597-07-3
Multi CAS
No
Molecular Formula
C21H41NO4
Molecular Weight
371.600000
Exact Mass
371.303559
SMILES
CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3
InChIKey
PSHXNVGSVNEJBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.9
Rotatable bonds
17
H-bond acceptors
4
Molar refractivity
103.48
TPSA
66.43
LogP / Solubility
WLOGP
3.45
MLOGP
3.05
XLogP3
6.6
Consensus LogP
4.37
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.54
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
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