CAS RN: 281204-67-9
1H-Indazole-1-ethanol,6-broMo-
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.20250306 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS281204-67-9
- Purity/Analytical Methods: >99.0%
281204-67-9 / 2-(6-bromoindazol-1-yl)ethanol
Basic Information
CAS
281204-67-9
Multi CAS
No
Molecular Formula
C9H9BrN2O
Molecular Weight
241.080000
Exact Mass
239.989830
InChI
InChI=1S/C9H9BrN2O/c10-8-2-1-7-6-11-12(3-4-13)9(7)5-8/h1-2,5-6,13H,3-4H2
InChIKey
MCQPFOGIAUHFRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.52
TPSA
38.05
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
2.1
Consensus LogP
1.82
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.92
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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