CAS RN: 405514-94-5
Tributylmethylammonium Bis(trifluoromethanesulfonyl)imide
- Product code: SSC-148809
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: ≥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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
405514-94-5 / bis(trifluoromethylsulfonyl)azanide;tributyl(methyl)azanium
Basic Information
CAS
405514-94-5
Multi CAS
Yes
Molecular Formula
C15F6H30N2O4S2
Molecular Weight
480.500000
Exact Mass
480.155119
InChI
InChI=1S/C13H30N.C2F6NO4S2/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-13H2,1-4H3;/q+1;-1
InChIKey
XALVHDZWUBSWES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
98.82
TPSA
82.38
LogP / Solubility
WLOGP
4.89
MLOGP
4.34
XLogP3
4.89
Consensus LogP
4.71
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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