CAS RN: 16829-91-7
Tetra-n-octylammonium Iodide
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260131 | 100mg / 200mg / 1g / 5g | Confirm by inquiry | Shanghai, Chongqing, Shandong | Inquiry |
- Product code: SSC-073365
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
16829-91-7 / tetraoctylazanium iodide
Basic Information
CAS
16829-91-7
Multi CAS
No
Molecular Formula
C32H68IN
Molecular Weight
593.800000
Exact Mass
593.439650
SMILES
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[I-]
InChI
InChI=1S/C32H68N.HI/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
InChIKey
KGPZZJZTFHCXNK-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
1
Rotatable bonds
28
H-bond acceptors
1
Molar refractivity
153.23
TPSA
0.0000
LogP / Solubility
WLOGP
8.25
MLOGP
7.31
XLogP3
8.25
Consensus LogP
7.94
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-10.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
