CAS RN: 1159511-73-5
4-Bromo-3-methyl-1H-indaz…
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-015769
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: 0.1g, 1g, 25g, 0.25g, 10g, 5g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
1159511-73-5 / 4-bromo-3-methyl-2H-indazole
4-Bromo-3-methyl-1H-indazole | RefChem:519990 | 997-860-0
Basic Information
CAS
1159511-73-5
Multi CAS
No
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CC1=C2C(=NN1)C=CC=C2Br
InChI
InChI=1S/C8H7BrN2/c1-5-8-6(9)3-2-4-7(8)11-10-5/h2-4H,1H3,(H,10,11)
InChIKey
QLPNZDSBEQBVBD-UHFFFAOYSA-N
Synonyms
4-Bromo-3-methyl-1H-indazole
RefChem:519990
997-860-0
4-bromo-3-methyl-2H-indazole
MFCD09743499
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.53
TPSA
28.68
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.14
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]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
