CAS RN: 460983-97-5
N-HEXYLPYRIDINIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
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.20260621 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS460983-97-5
- Purity/Analytical Methods: >99.0%
460983-97-5 / bis(trifluoromethylsulfonyl)azanide;1-hexylpyridin-1-ium
Basic Information
CAS
460983-97-5
Multi CAS
No
Molecular Formula
C13F6H18N2O4S2
Molecular Weight
444.400000
Exact Mass
444.061218
InChI
InChI=1S/C11H18N.C2F6NO4S2/c1-2-3-4-6-9-12-10-7-5-8-11-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5,7-8,10-11H,2-4,6,9H2,1H3;/q+1;-1
InChIKey
KRGMPUIAPYZEKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
84.09
TPSA
86.26
LogP / Solubility
WLOGP
3.61
MLOGP
3.21
XLogP3
3.61
Consensus LogP
3.48
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.39
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)
-2.87
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
-
3,4,5-Trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-2-thiazolyl)-benzamide
- CAS RN: 461000-66-8
- Product Code: SSC-153668
-
Hydrochloride
- CAS RN: 461023-63-2
- Product Code: starshine_CAS461023-63-2
- Purity/Analytical method: >99.0%
-
6-FLUORO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID
- CAS RN: 461026-47-1
- Product Code: SSC-153669
-
-
(3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1′,2′:1,6]pyrido[3,4-b]indole-3-propanoic acid 1,1-dimethylethyl ester
- CAS RN: 461054-93-3
- Product Code: starshine_CAS461054-93-3
- Purity/Analytical method: >99.0%
-
1H-1,2,4-Triazol-3-amine,5-(difluoromethyl)-(9CI)
- CAS RN: 461430-01-3
- Product Code: SSC-153688
![CAS 461054-93-3 (3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1′,2′:1,6]pyrido[3,4-b]indole-3-propanoic acid 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/461054-93-3.gif)
