CAS RN: 1528133-76-7
5-Bromo-2-methyl-2H-indazole-3-carbonitrile
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.20260503 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1528133-76-7
- Purity/Analytical Methods: >99.0%
1528133-76-7 / 5-bromo-2-methylindazole-3-carbonitrile
Basic Information
CAS
1528133-76-7
Multi CAS
No
Molecular Formula
C9H6BrN3
Molecular Weight
236.070000
Exact Mass
234.974510
SMILES
CN1C(=C2C=C(C=CC2=N1)Br)C#N
InChI
InChI=1S/C9H6BrN3/c1-13-9(5-11)7-4-6(10)2-3-8(7)12-13/h2-4H,1H3
InChIKey
XIAJAEATGYIFMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
53.13
TPSA
41.61
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.3
Consensus LogP
2.15
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
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)
-2.59
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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