CAS RN: 41917-25-3
1-Vinylindazole
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.20250616 | 5g | Out of stock | 8-10 business days | Inquiry |
41917-25-3 / 1-ethenylindazole
1-ethenylindazole | 1-ethenyl-1h-indazole | 1-vinylindazole
Basic Information
CAS
41917-25-3
Multi CAS
No
Molecular Formula
C9H8N2
Molecular Weight
144.170000
Exact Mass
144.068748
SMILES
C=CN1C2=CC=CC=C2C=N1
InChI
InChI=1S/C9H8N2/c1-2-11-9-6-4-3-5-8(9)7-10-11/h2-7H,1H2
InChIKey
PLWOURZNEOAFHE-UHFFFAOYSA-N
Synonyms
1-ethenylindazole
1-ethenyl-1h-indazole
1-vinylindazole
SCHEMBL1239688
SCHEMBL31294349
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.12
TPSA
17.82
LogP / Solubility
WLOGP
2.14
MLOGP
1.87
XLogP3
2.3
Consensus LogP
2.1
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
