CAS RN: 18828-58-5
Propionyl-L-carnitine,HCl
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS18828-58-5
- Purity/Analytical Methods: >99.0%
18828-58-5 / (3-carboxy-2-propanoyloxypropyl)-trimethylazanium chloride
Basic Information
CAS
18828-58-5
Multi CAS
No
Molecular Formula
C10H20ClNO4
Molecular Weight
253.720000
Exact Mass
253.108086
SMILES
CCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C10H19NO4.ClH/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H
InChIKey
KTFMPDDJYRFWQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.32
TPSA
63.6
LogP / Solubility
WLOGP
-2.51
MLOGP
-2.2
XLogP3
-2.51
Consensus LogP
-2.41
Log S (ESOL)
0.56
Class (ESOL)
Highly soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly 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)
-6.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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