CAS RN: 24597-12-4
gallium tetrachlorogallate
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.20250703 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS24597-12-4
- Purity/Analytical Methods: >99.0%
24597-12-4 / gallium tris(2-chloro-3,4,5-trichlorooxybenzoate)
Basic Information
CAS
24597-12-4
Multi CAS
No
Molecular Formula
C21H3Cl12GaO15
Molecular Weight
990.400000
Exact Mass
989.490150
SMILES
C1=C(C(=C(C(=C1OCl)OCl)OCl)Cl)C(=O)[O-].C1=C(C(=C(C(=C1OCl)OCl)OCl)Cl)C(=O)[O-].C1=C(C(=C(C(=C1OCl)OCl)OCl)Cl)C(=O)[O-].[Ga+3]
InChI
InChI=1S/3C7H2Cl4O5.Ga/c3*8-4-2(7(12)13)1-3(14-9)5(15-10)6(4)16-11;/h3*1H,(H,12,13);/q;;;+3/p-3
InChIKey
DOMVWGJUXOZGEL-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
18
Rotatable bonds
12
H-bond acceptors
15
Molar refractivity
171.43
TPSA
203.46
LogP / Solubility
WLOGP
6.52
MLOGP
5.84
XLogP3
6.52
Consensus LogP
6.29
Log S (ESOL)
-9.57
Class (ESOL)
Insoluble
Log S (Ali)
-12.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4
