CAS RN: 196932-16-8
5-ETHYL-1H-INDAZOLE, 97%(HPLC)
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.20260302 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE926821
196932-16-8 / 5-ethyl-1H-indazole
Basic Information
CAS
196932-16-8
Multi CAS
No
Molecular Formula
C9H10N2
Molecular Weight
146.190000
Exact Mass
146.084398
SMILES
CCC1=CC2=C(C=C1)NN=C2
InChI
InChI=1S/C9H10N2/c1-2-7-3-4-9-8(5-7)6-10-11-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey
YTGIWZVLLCQQPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.47
TPSA
28.68
LogP / Solubility
WLOGP
2.13
MLOGP
1.86
XLogP3
2.6
Consensus LogP
2.2
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
