CAS RN: 577967-67-0
2-chloro-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.20260627 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS577967-67-0
- Purity/Analytical Methods: >99.0%
577967-67-0 / 2-chloro-6-(trifluoromethoxy)quinoline
Basic Information
CAS
577967-67-0
Multi CAS
No
Molecular Formula
C10H5CLF3NO
Molecular Weight
247.600000
Exact Mass
247.001176
InChI
InChI=1S/C10H5ClF3NO/c11-9-4-1-6-5-7(16-10(12,13)14)2-3-8(6)15-9/h1-5H
InChIKey
WCUHOENFIJDDJN-UHFFFAOYSA-N
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
53.44
TPSA
22.12
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.9
Consensus LogP
3.68
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
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)
-1.54
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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