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CAS 412009-62-2 1-DECYL-3-METHYLIMIDAZOLIUM TRIFLATE molecular structure lightbox
CAS RN: 412009-62-2

1-DECYL-3-METHYLIMIDAZOLIUM TRIFLATE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 100g In stock Shenzhen Inquiry
Batchno.20250613 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250313 25g In stock Tianjin, Wuhan Inquiry
Batchno.20251110 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS412009-62-2
  • Purity/Analytical Methods: >99.0%
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412009-62-2 / 1-decyl-3-methylimidazol-3-ium;trifluoromethanesulfonate

Standard CAS: 412009-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
412009-62-2
Multi CAS
No
Molecular Formula
C15F3H27N2O3S
Molecular Weight
372.400000
Exact Mass
372.169448
InChI
InChI=1S/C14H27N2.CHF3O3S/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2-1(3,4)8(5,6)7/h12-14H,3-11H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey
YFLIZKWXKVXRES-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
83.97
TPSA
66.01

LogP / Solubility

WLOGP
3.5
MLOGP
3.1
XLogP3
3.5
Consensus LogP
3.37
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5

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

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