CAS RN: 1043601-53-1
6-Fluoro-1H-indole-3-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1043601-53-1
- Purity/Analytical Methods: >99.0%
1043601-53-1 / 6-fluoro-1H-indole-3-carbonitrile
6-FLUORO-1H-INDOLE-3-CARBONITRILE | MFCD12964694 | SCHEMBL187169
Basic Information
CAS
1043601-53-1
Multi CAS
No
Molecular Formula
C9H5FN2
Molecular Weight
160.150000
Exact Mass
160.043676
SMILES
C1=CC2=C(C=C1F)NC=C2C#N
InChI
InChI=1S/C9H5FN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H
InChIKey
YAQNAQXKZBUKRC-UHFFFAOYSA-N
Synonyms
6-FLUORO-1H-INDOLE-3-CARBONITRILE
MFCD12964694
SCHEMBL187169
DTXSID80697437
YAQNAQXKZBUKRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.97
TPSA
39.58
LogP / Solubility
WLOGP
2.18
MLOGP
1.91
XLogP3
2.4
Consensus LogP
2.16
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.15
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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