CAS RN: 558479-28-0
7-(trifluoromethyl)quinolin-5-ol
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.20250817 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS558479-28-0
- Purity/Analytical Methods: >99.0%
558479-28-0 / 7-(trifluoromethyl)quinolin-5-ol
Basic Information
CAS
558479-28-0
Multi CAS
No
Molecular Formula
C10F3H6NO
Molecular Weight
213.160000
Exact Mass
213.040148
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)6-4-8-7(9(15)5-6)2-1-3-14-8/h1-5,15H
InChIKey
OACWQUAAVQUXKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.41
TPSA
33.12
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
2
Consensus LogP
2.52
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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