CAS RN: 885521-61-9
3-CHLORO-4-FLUORO-6-INDAZOLECARBOXYLIC 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.20251016 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885521-61-9
- Purity/Analytical Methods: >99.0%
885521-61-9 / 3-chloro-4-fluoro-2H-indazole-6-carboxylic acid
Basic Information
CAS
885521-61-9
Multi CAS
No
Molecular Formula
C8H4CLFN2O2
Molecular Weight
214.580000
Exact Mass
213.994533
InChI
InChI=1S/C8H4ClFN2O2/c9-7-6-4(10)1-3(8(13)14)2-5(6)11-12-7/h1-2H,(H,11,12)(H,13,14)
InChIKey
DSANVVGFCFMLEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.02
TPSA
65.98
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.1
Consensus LogP
1.99
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.57
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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4-BROMO-3-IODO (1H)INDAZOLE
- CAS RN: 885521-72-2
- Product Code: starshine_CAS885521-72-2
- Purity/Analytical method: >99.0%
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3,6-DIBROMO (1H)INDAZOLE
- CAS RN: 885521-84-6
- Product Code: starshine_CAS885521-84-6
- Purity/Analytical method: >99.0%
