Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 0.25g, 100g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 4 In Stock | Shanghai | Inquiry |
| 25g | >98% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | >98% | 3 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
590417-94-0 / 6-bromo-1-methylindazole
Basic Information
CAS
590417-94-0
Multi CAS
No
Molecular Formula
BC8H7Rn2
Molecular Weight
211.060000
Exact Mass
209.979260
InChI
InChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,1H3
InChIKey
SVVSOIGNROPKMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
48.41
TPSA
17.82
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2.8
Consensus LogP
2.4
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-2.35
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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