CAS RN: 1701-27-5
4-Chloro-6-methoxy-2-(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.20250126 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1701-27-5
- Purity/Analytical Methods: >99.0%
1701-27-5 / 4-chloro-6-methoxy-2-(trifluoromethyl)quinoline
Basic Information
CAS
1701-27-5
Multi CAS
No
Molecular Formula
C11H7ClF3NO
Molecular Weight
261.630000
Exact Mass
261.016826
SMILES
COC1=CC2=C(C=C1)N=C(C=C2Cl)C(F)(F)F
InChI
InChI=1S/C11H7ClF3NO/c1-17-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3
InChIKey
RVBOGCSHKBTGDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.31
TPSA
22.12
LogP / Solubility
WLOGP
3.92
MLOGP
3.45
XLogP3
3.7
Consensus LogP
3.69
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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
Leadlikeness
No
Synthetic Accessibility
1.5
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