CAS RN: 22671-29-0
L-Hexanoylcarnitine
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.20250818 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS22671-29-0
- Purity/Analytical Methods: >99.0%
22671-29-0 / (3R)-3-hexanoyloxy-4-(trimethylazaniumyl)butanoate
Basic Information
CAS
22671-29-0
Multi CAS
No
Molecular Formula
C13H25NO4
Molecular Weight
259.340000
Exact Mass
259.178358
SMILES
CCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKey
VVPRQWTYSNDTEA-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
66.55
TPSA
66.43
LogP / Solubility
WLOGP
0.32
MLOGP
0.29
XLogP3
2.3
Consensus LogP
0.97
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
