CAS RN: 1101205-26-8
2-broMo-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.20250522 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1101205-26-8
- Purity/Analytical Methods: >99.0%
1101205-26-8 / 2-bromo-6-(trifluoromethyl)quinoline
2-Bromo-6-(trifluoromethyl)quinoline | 2-bromo-6-(trifluoromethyl) quinoline | MFCD18254052
Basic Information
CAS
1101205-26-8
Multi CAS
No
Molecular Formula
C10H5BrF3N
Molecular Weight
276.050000
Exact Mass
274.955750
SMILES
C1=CC2=C(C=CC(=N2)Br)C=C1C(F)(F)F
InChI
InChI=1S/C10H5BrF3N/c11-9-4-1-6-5-7(10(12,13)14)2-3-8(6)15-9/h1-5H
InChIKey
ZPBAXXIIGBQDGP-UHFFFAOYSA-N
Synonyms
2-Bromo-6-(trifluoromethyl)quinoline
2-bromo-6-(trifluoromethyl) quinoline
MFCD18254052
SCHEMBL20660645
ZPBAXXIIGBQDGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
54.45
TPSA
12.89
LogP / Solubility
WLOGP
4.02
MLOGP
3.54
XLogP3
4.1
Consensus LogP
3.89
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.55
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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