CAS RN: 1000341-70-7
7-CHLORO-4-FLUORO (1H)INDAZOLE
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.20251125 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000341-70-7
- Purity/Analytical Methods: >99.0%
1000341-70-7 / 7-chloro-4-fluoro-1H-indazole
7-chloro-4-fluoro-1H-indazole | 1000341-70-7 | 1H-Indazole, 7-chloro-4-fluoro-
Basic Information
CAS
1000341-70-7
Multi CAS
No
Molecular Formula
C7H4ClFN2
Molecular Weight
170.570000
Exact Mass
170.004704
SMILES
C1=CC(=C2C(=C1F)C=NN2)Cl
InChI
InChI=1S/C7H4ClFN2/c8-5-1-2-6(9)4-3-10-11-7(4)5/h1-3H,(H,10,11)
InChIKey
PBIXHDNEONVWJP-UHFFFAOYSA-N
Synonyms
7-chloro-4-fluoro-1H-indazole
1000341-70-7
1H-Indazole, 7-chloro-4-fluoro-
MFCD09749913
7-Chloro-4-fluoro (1H)indazole
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.06
TPSA
28.68
LogP / Solubility
WLOGP
2.36
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.09
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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