CAS RN: 1000576-59-9
7-BROMO-1-METHYL-1H-INDAZOLE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-000293
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
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
1000576-59-9 / 7-bromo-1-methylindazole
1000576-59-9 | 7-BROMO-1-METHYL-1H-INDAZOLE | DTXSID90610718
Basic Information
CAS
1000576-59-9
Multi CAS
Yes
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CN1C2=C(C=CC=C2Br)C=N1
InChI
InChI=1S/C8H7BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,1H3
InChIKey
JPFIGGYULRKROG-UHFFFAOYSA-N
Synonyms
1000576-59-9
7-BROMO-1-METHYL-1H-INDAZOLE
DTXSID90610718
RefChem:310350
DTXCID90561473
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
2.3
Consensus LogP
2.23
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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