CAS RN: 885522-68-9
6-AMINO-4-FLUORO-3-(1H)INDAZOLE CARBOXYLIC ACID
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.20260628 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS885522-68-9
- Purity/Analytical Methods: >99.0%
885522-68-9 / 6-amino-4-fluoro-1H-indazole-3-carboxylic acid
Basic Information
CAS
885522-68-9
Multi CAS
No
Molecular Formula
C8FH6N3O2
Molecular Weight
195.150000
Exact Mass
195.044405
InChI
InChI=1S/C8H6FN3O2/c9-4-1-3(10)2-5-6(4)7(8(13)14)12-11-5/h1-2H,10H2,(H,11,12)(H,13,14)
InChIKey
VMQHPGQGNLVKCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.42
TPSA
92
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.8
Consensus LogP
0.88
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
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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