CAS RN: 7206-39-5
Dimethyldioctadecylammonium Iodide
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-181589
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 | Beijing | Inquiry |
7206-39-5 / dimethyl(dioctadecyl)azanium iodide
Basic Information
CAS
7206-39-5
Multi CAS
Yes
Molecular Formula
C38H80In
Molecular Weight
678.000000
Exact Mass
677.533550
InChI
InChI=1S/C38H80N.HI/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
InChIKey
MSSPASWTWTZPQU-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
1
Rotatable bonds
34
H-bond acceptors
1
Molar refractivity
180.93
TPSA
0.0000
LogP / Solubility
WLOGP
10.59
MLOGP
9.38
XLogP3
10.59
Consensus LogP
10.19
Log S (ESOL)
-8.47
Class (ESOL)
Insoluble
Log S (Ali)
-12.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.94
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)
0.66
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
4
