CAS RN: 2390-68-3
Didecyldimethylammonium Bromide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock3 grade groups
- Product code: SSC-116789
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: 100g
- Available purity: N/A
- 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 |
|---|---|---|---|---|
| 100g | N/A | 0 Out of Stock | Shenzhen | Inquiry |
2390-68-3 / didecyl(dimethyl)azanium bromide
Basic Information
CAS
2390-68-3
Multi CAS
No
Molecular Formula
C22H48BrN
Molecular Weight
406.500000
Exact Mass
405.297010
SMILES
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
InChI
InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKey
UMGXUWVIJIQANV-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
1
Molar refractivity
107.06
TPSA
0.0000
LogP / Solubility
WLOGP
4.35
MLOGP
3.85
XLogP3
4.35
Consensus LogP
4.18
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
