CAS RN: 1173999-43-3
5-Fluoro-2H-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 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1173999-43-3
- Purity/Analytical Methods: >99.0%
1173999-43-3 / 5-fluoro-1H-indazole
5-Fluoro-1H-indazole | DTXSID50591231 | RefChem:102609
Basic Information
CAS
1173999-43-3
Multi CAS
No
Molecular Formula
C7H5FN2
Molecular Weight
136.130000
Exact Mass
136.043676
SMILES
C1=CC2=C(C=C1F)C=NN2
InChI
InChI=1S/C7H5FN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
LIWIWTHSKJBYDW-UHFFFAOYSA-N
Synonyms
5-Fluoro-1H-indazole
DTXSID50591231
RefChem:102609
DTXCID70541995
636-895-5
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.05
TPSA
28.68
LogP / Solubility
WLOGP
1.7
MLOGP
1.49
XLogP3
2.3
Consensus LogP
1.83
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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