CAS RN: 14919-35-8
OCTANOYL-DL-CARNITIN CHLORIDE
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.20260422 | 5mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS14919-35-8
- Purity/Analytical Methods: >99.0%
14919-35-8 / (3-carboxy-2-octanoyloxypropyl)-trimethylazanium chloride
Basic Information
CAS
14919-35-8
Multi CAS
No
Molecular Formula
C15H30ClNO4
Molecular Weight
323.850000
Exact Mass
323.186336
SMILES
CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C15H29NO4.ClH/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4;/h13H,5-12H2,1-4H3;1H
InChIKey
MYMFUYYXIJGKKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.41
TPSA
63.6
LogP / Solubility
WLOGP
-0.56
MLOGP
-0.47
XLogP3
-0.56
Consensus LogP
-0.53
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
