CAS RN: 176110-81-9
R(+)-Alpha Lipoic Acid SodiuM
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.20260425 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS176110-81-9
- Purity/Analytical Methods: >99.0%
176110-81-9 / sodium 5-[(3R)-dithiolan-3-yl]pentanoate
Basic Information
CAS
176110-81-9
Multi CAS
No
Molecular Formula
C8H13NaO2S2
Molecular Weight
228.300000
Exact Mass
228.025466
SMILES
C1CSS[C@@H]1CCCCC(=O)[O-].[Na+]
InChI
InChI=1S/C8H14O2S2.Na/c9-8(10)4-2-1-3-7-5-6-11-12-7;/h7H,1-6H2,(H,9,10);/q;+1/p-1/t7-;/m1./s1
InChIKey
UUDFBRWLHZIIQX-OGFXRTJISA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
51.93
TPSA
40.13
LogP / Solubility
WLOGP
-1.55
MLOGP
-1.36
XLogP3
-1.55
Consensus LogP
-1.49
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-5.21
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501
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