CAS RN: 1059064-17-3
3-bromo-6-(trifluoromethoxy)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.20260204 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1059064-17-3
- Purity/Analytical Methods: >99.0%
1059064-17-3 / 3-bromo-6-(trifluoromethoxy)quinoline
3-BROMO-6-(TRIFLUOROMETHOXY)QUINOLINE | MFCD31729482 | SCHEMBL23247848
Basic Information
CAS
1059064-17-3
Multi CAS
No
Molecular Formula
C10H5BrF3NO
Molecular Weight
292.050000
Exact Mass
290.950660
SMILES
C1=CC2=NC=C(C=C2C=C1OC(F)(F)F)Br
InChI
InChI=1S/C10H5BrF3NO/c11-7-3-6-4-8(16-10(12,13)14)1-2-9(6)15-5-7/h1-5H
InChIKey
JUNJKVZKGKPEGV-UHFFFAOYSA-N
Synonyms
3-BROMO-6-(TRIFLUOROMETHOXY)QUINOLINE
MFCD31729482
SCHEMBL23247848
WS-02908
DB-378869
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.13
TPSA
22.12
LogP / Solubility
WLOGP
3.9
MLOGP
3.44
XLogP3
4.4
Consensus LogP
3.91
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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)
-1.74
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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