CAS RN: 139144-12-0
ISOVALERYL-L-CARNITINE CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260213 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS139144-12-0
- Purity/Analytical Methods: >99.0%
139144-12-0 / [(2R)-3-carboxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium chloride
Basic Information
CAS
139144-12-0
Multi CAS
No
Molecular Formula
C12H24ClNO4
Molecular Weight
281.770000
Exact Mass
281.139386
SMILES
CC(C)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C12H23NO4.ClH/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5;/h9-10H,6-8H2,1-5H3;1H/t10-;/m1./s1
InChIKey
HWDFIOSIRGUUSM-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.49
TPSA
63.6
LogP / Solubility
WLOGP
-1.87
MLOGP
-1.64
XLogP3
-1.87
Consensus LogP
-1.79
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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