CAS RN: 1823787-20-7
2-(5-bromo-2-methyl-2H-indazol-3-yl)propan-2-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.20260210 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823787-20-7
- Purity/Analytical Methods: >99.0%
1823787-20-7 / 2-(5-bromo-2-methylindazol-3-yl)propan-2-ol
Basic Information
CAS
1823787-20-7
Multi CAS
No
Molecular Formula
C11H13BrN2O
Molecular Weight
269.140000
Exact Mass
268.021130
SMILES
CC(C)(C1=C2C=C(C=CC2=NN1C)Br)O
InChI
InChI=1S/C11H13BrN2O/c1-11(2,15)10-8-6-7(12)4-5-9(8)13-14(10)3/h4-6,15H,1-3H3
InChIKey
AJZJKPUCLBSWRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.66
TPSA
38.05
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2
Consensus LogP
2.27
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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