CAS RN: 1105187-46-9
2-(5-Amino-2H-indazol-2-yl)ethan-1-ol
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.20260629 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1105187-46-9
- Purity/Analytical Methods: >99.0%
1105187-46-9 / 2-(5-aminoindazol-2-yl)ethanol
2-(5-Amino-2H-indazol-2-yl)ethanol | 2-(5-aminoindazol-2-yl)ethanol | 2-(5-Amino-2H-indazol-2-yl)ethan-1-ol
Basic Information
CAS
1105187-46-9
Multi CAS
No
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
SMILES
C1=CC2=NN(C=C2C=C1N)CCO
InChI
InChI=1S/C9H11N3O/c10-8-1-2-9-7(5-8)6-12(11-9)3-4-13/h1-2,5-6,13H,3-4,10H2
InChIKey
UZVCEOMENYALEB-UHFFFAOYSA-N
Synonyms
2-(5-Amino-2H-indazol-2-yl)ethanol
2-(5-aminoindazol-2-yl)ethanol
2-(5-Amino-2H-indazol-2-yl)ethan-1-ol
MFCD11846209
5-Amino-2-(2-hydroxyethyl)-2H-indazole
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.23
TPSA
64.07
LogP / Solubility
WLOGP
0.61
MLOGP
0.53
XLogP3
0.1
Consensus LogP
0.41
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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