CAS RN: 1247810-29-2
4-CHLORO-6-FLUORO-8-METHOXYQUINOLINE-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.20250614 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1247810-29-2
- Purity/Analytical Methods: >99.0%
1247810-29-2 / 4-chloro-6-fluoro-8-methoxyquinoline-3-carbonitrile
Basic Information
CAS
1247810-29-2
Multi CAS
No
Molecular Formula
C11H6ClFN2O
Molecular Weight
236.630000
Exact Mass
236.015269
SMILES
COC1=CC(=CC2=C(C(=CN=C12)C#N)Cl)F
InChI
InChI=1S/C11H6ClFN2O/c1-16-9-3-7(13)2-8-10(12)6(4-14)5-15-11(8)9/h2-3,5H,1H3
InChIKey
ZJQUKNMOJUIJMB-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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