CAS RN: 1017254-66-8
(OEt)2Im-NTF2
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS1017254-66-8
- Purity/Analytical Methods: >99.0%
1017254-66-8 / bis(trifluoromethylsulfonyl)azanide;1,3-diethoxyimidazol-1-ium
(OEt)2Im-NTF2 | 1,3-Diethoxyimidazolium bis(trifluoromethylsulfonyl)imide | 1,3-Diethoxy-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide
Basic Information
CAS
1017254-66-8
Multi CAS
No
Molecular Formula
C9H13F6N3O6S2
Molecular Weight
437.300000
Exact Mass
437.014996
SMILES
CCON1C=C[N+](=C1)OCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H13N2O2.C2F6NO4S2/c1-3-10-8-5-6-9(7-8)11-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,3-4H2,1-2H3;/q+1;-1
InChIKey
CJJJLUVYFXOOSP-UHFFFAOYSA-N
Synonyms
(OEt)2Im-NTF2
1,3-Diethoxyimidazolium bis(trifluoromethylsulfonyl)imide
1,3-Diethoxy-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide
MFCD11656043
bis(trifluoromethylsulfonyl)azanide;1,3-diethoxyimidazol-1-ium
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
72.18
TPSA
109.65
LogP / Solubility
WLOGP
0.73
MLOGP
0.67
XLogP3
0.73
Consensus LogP
0.71
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble
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
No
Log Kp (skin permeation)
-4.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Di-t-butylphosphinoferrocene tetrafluoroborate
- CAS RN: 1017254-82-8
- Product Code: starshine_CAS1017254-82-8
- Purity/Analytical method: >99.0%
-
METHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-5-CARBOXYLATE
- CAS RN: 1017273-31-2
- Product Code: starshine_CAS1017273-31-2
- Purity/Analytical method: >99.0%
-
3-MethyliMidazo[2,1-b]thiazole-2-carboxylic acid
- CAS RN: 1017273-59-4
- Product Code: SSC-002677
-
Sanggenofuran B
- CAS RN: 1017277-40-5
- Product Code: starshine_CAS1017277-40-5
- Purity/Analytical method: >99.0%
-
6-Bromo-3-methyl-1,2,3,4-tetrahydroquinoline
- CAS RN: 1017336-71-8
- Product Code: SSC-002683
-
4′-Fluoro-3′-methylpropiophenone
- CAS RN: 1017345-17-3
- Product Code: starshine_CAS1017345-17-3
- Purity/Analytical method: >99.0%
![CAS 1017273-31-2 METHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-5-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1017273-31-2.gif)
![CAS 1017273-59-4 3-MethyliMidazo[2,1-b]thiazole-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1017273-59-4.gif)
