CAS RN: 653-14-5
LITHIUM 3,5-DIIODOSALICYLATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250625 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS653-14-5
- Purity/Analytical Methods: >99.0%
653-14-5 / lithium 2-hydroxy-3,5-diiodobenzoate
Basic Information
CAS
653-14-5
Multi CAS
Yes
Molecular Formula
C7H3I2LiO3
Molecular Weight
395.900000
Exact Mass
395.833170
InChI
InChI=1S/C7H4I2O3.Li/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1
InChIKey
HLBRJWWTLIAOTE-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.87
TPSA
60.36
LogP / Solubility
WLOGP
-2.03
MLOGP
-1.76
XLogP3
-2.03
Consensus LogP
-1.94
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.67
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)
-6.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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