CAS RN: 99337-56-1
Tetrabutylammonium Dihydrogen Trifluoride
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock1 grade group
- Product code: SSC-213103
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
99337-56-1 / tetrabutylazanium;fluoride;dihydrofluoride
Basic Information
CAS
99337-56-1
Multi CAS
Yes
Molecular Formula
C16F3H38N
Molecular Weight
301.470000
Exact Mass
301.295635
InChI
InChI=1S/C16H36N.3FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;/p-1
InChIKey
MRXQMNWIADOAJY-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.37
TPSA
0.0000
LogP / Solubility
WLOGP
2.31
MLOGP
2.05
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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