CAS RN: 460345-15-7
1-pentyl-3-methylimidazolium trifluoromethanesulfonate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250808 | 1kg | Out of stock | Inquiry |
- Product code: starshine_CAS460345-15-7
- Purity/Analytical Methods: >99.0%
460345-15-7 / 1-methyl-3-pentylimidazol-1-ium;trifluoromethanesulfonate
Basic Information
CAS
460345-15-7
Multi CAS
No
Molecular Formula
C10F3H17N2O3S
Molecular Weight
302.320000
Exact Mass
302.091198
InChI
InChI=1S/C9H17N2.CHF3O3S/c1-3-4-5-6-11-8-7-10(2)9-11;2-1(3,4)8(5,6)7/h7-9H,3-6H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey
YTTSIJMBSFNQQD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
60.89
TPSA
66.01
LogP / Solubility
WLOGP
1.55
MLOGP
1.38
XLogP3
1.55
Consensus LogP
1.49
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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