CAS RN: 2109805-55-0
4-Bromo-5-ethyl-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.20250526 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2109805-55-0
- Purity/Analytical Methods: >99.0%
2109805-55-0 / 4-bromo-5-ethyl-1H-indazole
Basic Information
CAS
2109805-55-0
Multi CAS
No
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CCC1=C(C2=C(C=C1)NN=C2)Br
InChI
InChI=1S/C9H9BrN2/c1-2-6-3-4-8-7(9(6)10)5-11-12-8/h3-5H,2H2,1H3,(H,11,12)
InChIKey
HGKVOECDVJNABM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.17
TPSA
28.68
LogP / Solubility
WLOGP
2.89
MLOGP
2.54
XLogP3
3
Consensus LogP
2.81
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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