CAS RN: 52200-53-0
6-Chloro-8-fluoroquinoline
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.20251119 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS52200-53-0
- Purity/Analytical Methods: >99.0%
52200-53-0 / 6-chloro-8-fluoroquinoline
Basic Information
CAS
52200-53-0
Multi CAS
No
Molecular Formula
C9H5CLFN
Molecular Weight
181.590000
Exact Mass
181.009455
InChI
InChI=1S/C9H5ClFN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H
InChIKey
VRDHJZRIMIKGRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
46.71
TPSA
12.89
LogP / Solubility
WLOGP
3.03
MLOGP
2.66
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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