CAS RN: 390423-43-5
1-BUTYLPYRIDINIUM TRIFLUOROMETHANESULFONATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250501 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Guangdong, Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS390423-43-5
- Purity/Analytical Methods: >99.0%
390423-43-5 / 1-butylpyridin-1-ium;trifluoromethanesulfonate
Basic Information
CAS
390423-43-5
Multi CAS
No
Molecular Formula
C10F3H14NO3S
Molecular Weight
285.290000
Exact Mass
285.064649
InChI
InChI=1S/C9H14N.CHF3O3S/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)8(5,6)7/h4-6,8-9H,2-3,7H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey
BEFWDPZVLOCGRP-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
57.3
TPSA
61.08
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-3.16
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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