CAS RN: 622369-40-8
4-CHLORO-7-FLUORO-6-METHOXY-QUINOLINE-3-CARBONITRILE
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.20260108 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS622369-40-8
- Purity/Analytical Methods: >99.0%
622369-40-8 / 4-chloro-7-fluoro-6-methoxyquinoline-3-carbonitrile
Basic Information
CAS
622369-40-8
Multi CAS
No
Molecular Formula
C11H6CLFN2O
Molecular Weight
236.630000
Exact Mass
236.015269
InChI
InChI=1S/C11H6ClFN2O/c1-16-10-2-7-9(3-8(10)13)15-5-6(4-14)11(7)12/h2-3,5H,1H3
InChIKey
PNVRUIFACIJUKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.98
TPSA
45.91
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
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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