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CAS 108560-70-9 GalliuM Maltolate molecular structure lightbox
CAS RN: 108560-70-9

GalliuM Maltolate

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250526 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251031 25g In stock Shanghai Inquiry
Batchno.20250504 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS108560-70-9
  • Purity/Analytical Methods: >99.0%
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108560-70-9 / gallium tris(2-methyl-4-oxopyran-3-olate)

gallium maltolate | 17LEI49C2G | tris(maltolato)gallium(III)

Standard CAS: 108560-70-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108560-70-9
Multi CAS
Yes
Molecular Formula
C18H15GaO9
Molecular Weight
445.000000
Exact Mass
443.997180
SMILES
CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].[Ga+3]
InChI
InChI=1S/3C6H6O3.Ga/c3*1-4-6(8)5(7)2-3-9-4;/h3*2-3,8H,1H3;/q;;;+3/p-3
InChIKey
ASYYOZSDALANRF-UHFFFAOYSA-K
Synonyms
gallium maltolate 17LEI49C2G tris(maltolato)gallium(III) RefChem:142192 tris(3-hydroxy-2-methyl-4H-pyran-4-onato)gallium(III)

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.17
H-bond acceptors
9
Molar refractivity
93.24
TPSA
159.81

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.25
XLogP3
-0.32
Consensus LogP
-0.3
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-5.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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