CAS RN: 734522-82-8
1H-Indazole,4-(broMoMethyl)-
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.20250118 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS734522-82-8
- Purity/Analytical Methods: >99.0%
734522-82-8 / 4-(bromomethyl)-1H-indazole
Basic Information
CAS
734522-82-8
Multi CAS
No
Molecular Formula
BC8H7Rn2
Molecular Weight
211.060000
Exact Mass
209.979260
InChI
InChI=1S/C8H7BrN2/c9-4-6-2-1-3-8-7(6)5-10-11-8/h1-3,5H,4H2,(H,10,11)
InChIKey
WORQNQLPVDFTKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.72
TPSA
28.68
LogP / Solubility
WLOGP
2.46
MLOGP
2.16
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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