CAS RN: 1261678-80-1
3-hydroxy-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.20250818 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261678-80-1
- Purity/Analytical Methods: >99.0%
1261678-80-1 / 5-(trifluoromethyl)quinolin-3-ol
Basic Information
CAS
1261678-80-1
Multi CAS
No
Molecular Formula
C10H6F3NO
Molecular Weight
213.160000
Exact Mass
213.040148
SMILES
C1=CC(=C2C=C(C=NC2=C1)O)C(F)(F)F
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)8-2-1-3-9-7(8)4-6(15)5-14-9/h1-5,15H
InChIKey
HVUFZBLIQZGYRZ-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
2.7
Consensus LogP
2.76
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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