CAS RN: 137314-40-0
Lipoic acid tromethamine salt
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.20260622 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS137314-40-0
- Purity/Analytical Methods: >99.0%
137314-40-0 / 2-amino-2-(hydroxymethyl)propane-1,3-diol;5-[(3R)-dithiolan-3-yl]pentanoic acid
Basic Information
CAS
137314-40-0
Multi CAS
No
Molecular Formula
C12H25NO5S2
Molecular Weight
327.500000
Exact Mass
327.117415
SMILES
C1CSS[C@@H]1CCCCC(=O)O.C(C(CO)(CO)N)O
InChI
InChI=1S/C8H14O2S2.C4H11NO3/c9-8(10)4-2-1-3-7-5-6-11-12-7;5-4(1-6,2-7)3-8/h7H,1-6H2,(H,9,10);6-8H,1-3,5H2/t7-;/m1./s1
InChIKey
CCTREOMTIFSZAU-OGFXRTJISA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
5
Molar refractivity
82.73
TPSA
124.01
LogP / Solubility
WLOGP
0.45
MLOGP
0.41
XLogP3
0.45
Consensus LogP
0.44
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-4.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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