CAS RN: 342-30-3
5-(TrifluoroMethyl)quinoline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260612 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS342-30-3
- Purity/Analytical Methods: >99.0%
342-30-3 / 5-(trifluoromethyl)quinoline
Basic Information
CAS
342-30-3
Multi CAS
No
Molecular Formula
C10F3H6N
Molecular Weight
197.160000
Exact Mass
197.045234
InChI
InChI=1S/C10H6F3N/c11-10(12,13)8-4-1-5-9-7(8)3-2-6-14-9/h1-6H
InChIKey
YIFZKLFTSGGGQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
46.75
TPSA
12.89
LogP / Solubility
WLOGP
3.25
MLOGP
2.86
XLogP3
3.1
Consensus LogP
3.07
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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