CAS RN: 3779-42-8
(3-Bromopropyl)trimethylammonium Bromide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250214 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Guangdong, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 100g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20251209 | 1g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
| Batchno.20250516 | 25g | In stock | Shanghai, Shandong, Hebei | Inquiry |
| Batchno.20260412 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250111 | 5g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: SSC-145232
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
3779-42-8 / 3-bromopropyl(trimethyl)azanium bromide
Basic Information
CAS
3779-42-8
Multi CAS
Yes
Molecular Formula
C6H15BR2N
Molecular Weight
261.000000
Exact Mass
260.955080
InChI
InChI=1S/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKey
NNZGNZHUGJAKKT-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
41.31
TPSA
0.0000
LogP / Solubility
WLOGP
-1.52
MLOGP
-1.33
XLogP3
-1.52
Consensus LogP
-1.46
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very 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)
-5.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
