CAS RN: 1893909-76-6
1H-Indazole-6-carboxaldehyde, 4-fluoro-
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.20260517 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1893909-76-6
- Purity/Analytical Methods: >99.0%
1893909-76-6 / 4-fluoro-1H-indazole-6-carbaldehyde
Basic Information
CAS
1893909-76-6
Multi CAS
No
Molecular Formula
C8H5FN2O
Molecular Weight
164.140000
Exact Mass
164.038591
SMILES
C1=C(C=C(C2=C1NN=C2)F)C=O
InChI
InChI=1S/C8H5FN2O/c9-7-1-5(4-12)2-8-6(7)3-10-11-8/h1-4H,(H,10,11)
InChIKey
ZGMDATDXCUBJRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.44
TPSA
45.75
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.1
Consensus LogP
1.31
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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