Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
1209534-87-1 / 6-fluoro-1-methylindazole
6-Fluoro-1-methyl-1H-indazole | 6-fluoro-1-methylindazole | MFCD11977522
Basic Information
CAS
1209534-87-1
Multi CAS
No
Molecular Formula
C8H7FN2
Molecular Weight
150.150000
Exact Mass
150.059326
SMILES
CN1C2=C(C=CC(=C2)F)C=N1
InChI
InChI=1S/C8H7FN2/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,1H3
InChIKey
JQHUBDRPYSEPNE-UHFFFAOYSA-N
Synonyms
6-Fluoro-1-methyl-1H-indazole
6-fluoro-1-methylindazole
MFCD11977522
1H-INDAZOLE, 6-FLUORO-1-METHYL-
6-fluoro-1-methyl-indazole
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
40.67
TPSA
17.82
LogP / Solubility
WLOGP
1.71
MLOGP
1.5
XLogP3
2.2
Consensus LogP
1.8
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-2.42
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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