CAS RN: 544716-08-7
4-MERCAPTO-6-(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.20260220 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS544716-08-7
- Purity/Analytical Methods: >99.0%
544716-08-7 / 6-(trifluoromethyl)-1H-quinoline-4-thione
Basic Information
CAS
544716-08-7
Multi CAS
Yes
Molecular Formula
C10F3H6NS
Molecular Weight
229.220000
Exact Mass
229.017305
InChI
InChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
InChIKey
YJDNFPTZTNGNSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.13
TPSA
15.79
LogP / Solubility
WLOGP
3.92
MLOGP
3.45
XLogP3
3
Consensus LogP
3.46
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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