CAS RN: 537031-78-0
N-Methyl-bis(trifluoromethanesulfonimide)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260529 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS537031-78-0
- Purity/Analytical Methods: >99.0%
537031-78-0 / 1,1,1-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)methanesulfonamide
Basic Information
CAS
537031-78-0
Multi CAS
No
Molecular Formula
C3F6H3NO4S2
Molecular Weight
295.200000
Exact Mass
294.940769
InChI
InChI=1S/C3H3F6NO4S2/c1-10(15(11,12)2(4,5)6)16(13,14)3(7,8)9/h1H3
InChIKey
LMLOOYLJVCUWCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
37.71
TPSA
71.52
LogP / Solubility
WLOGP
0.62
MLOGP
0.55
XLogP3
1.5
Consensus LogP
0.89
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 537034-15-4
- Product Code: starshine_CAS537034-15-4
- Purity/Analytical method: >99.0%
