CAS RN: 21424-24-8
Heptadecyltrimethylammonium Bromide
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-102698
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
21424-24-8 / heptadecyl(trimethyl)azanium bromide
Basic Information
CAS
21424-24-8
Multi CAS
No
Molecular Formula
C20H44BrN
Molecular Weight
378.500000
Exact Mass
377.265710
SMILES
CCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C20H44N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey
TTXDNWCDEIIMDP-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
1
Molar refractivity
97.83
TPSA
0.0000
LogP / Solubility
WLOGP
3.57
MLOGP
3.16
XLogP3
3.57
Consensus LogP
3.43
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5
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
