CAS RN: 40225-14-7
VALERYL-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.20251207 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS40225-14-7
- Purity/Analytical Methods: >99.0%
40225-14-7 / 3-pentanoyloxy-4-(trimethylazaniumyl)butanoate
Basic Information
CAS
40225-14-7
Multi CAS
Yes
Molecular Formula
C12H23NO4
Molecular Weight
245.320000
Exact Mass
245.162708
InChI
InChI=1S/C12H23NO4/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKey
VSNFQQXVMPSASB-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
61.93
TPSA
66.43
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.05
XLogP3
1.8
Consensus LogP
0.56
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-4.26
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
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