CAS RN: 65-29-2
Gallamin Triethiodide
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251231 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260330 | 1g | Out of stock | Inquiry | |
| Batchno.20250224 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260213 | 25g | Out of stock | Inquiry | |
| Batchno.20251120 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251207 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTG0554
- Purity/Analytical Methods: >98.0%(HPLC)
65-29-2 / 2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium triiodide
Basic Information
CAS
65-29-2
Multi CAS
Yes
Molecular Formula
C30H60I3N3O3
Molecular Weight
891.500000
Exact Mass
891.176900
InChI
InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3
InChIKey
REEUVFCVXKWOFE-UHFFFAOYSA-K
Physical Properties
Melting Point
152-153
147.5 °C
Appearance
WHITE AMORPHOUS POWDER
White crystals from acetone/water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.8
Rotatable bonds
21
H-bond acceptors
3
Molar refractivity
153.18
TPSA
27.69
LogP / Solubility
WLOGP
-3.54
MLOGP
-3.03
XLogP3
-3.54
Consensus LogP
-3.37
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly 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)
-10.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
