CAS RN: 6865-14-1
PALMITOYL-DL-CARNITINE CHLORIDE
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250315 | 100mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6865-14-1
- Purity/Analytical Methods: >99.0%
6865-14-1 / (3-carboxy-2-hexadecanoyloxypropyl)-trimethylazanium chloride
Basic Information
CAS
6865-14-1
Multi CAS
Yes
Molecular Formula
C23H46CLNO4
Molecular Weight
436.100000
Exact Mass
435.311537
InChI
InChI=1S/C23H45NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4;/h21H,5-20H2,1-4H3;1H
InChIKey
GAMKNLFIHBMGQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.91
Rotatable bonds
19
H-bond acceptors
3
H-bond donors
1
Molar refractivity
115.34
TPSA
63.6
LogP / Solubility
WLOGP
2.56
MLOGP
2.29
XLogP3
2.56
Consensus LogP
2.47
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.9
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)
-3.56
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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