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CAS 909390-59-6 1-Methyl-3-(4-sulfobutyl)imidazolium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 909390-59-6

1-Methyl-3-(4-sulfobutyl)imidazolium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-203680
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 909390-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

909390-59-6 / bis(trifluoromethylsulfonyl)azanide;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid

Standard CAS: 909390-59-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
909390-59-6
Multi CAS
Yes
Molecular Formula
C10F6H15N3O7S3
Molecular Weight
499.400000
Exact Mass
498.997632
InChI
InChI=1S/C8H14N2O3S.C2F6NO4S2/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8H,2-4,7H2,1H3;/q;-1/p+1
InChIKey
PXYKADKIWNXJNF-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
84.57
TPSA
145.56

LogP / Solubility

WLOGP
1.04
MLOGP
0.95
XLogP3
1.04
Consensus LogP
1.01
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-5.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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