CAS RN: 1346597-55-4
Methyl 1-Acetyl-6-broMo-1H-indazole-4-carboxylate
- Product code: SSC-042542
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, 0.25g, 0.1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 8
- 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 | -- | 4 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
1346597-55-4 / methyl 1-acetyl-6-bromoindazole-4-carboxylate
Basic Information
CAS
1346597-55-4
Multi CAS
No
Molecular Formula
C11H9BrN2O3
Molecular Weight
297.100000
Exact Mass
295.979650
SMILES
CC(=O)N1C2=CC(=CC(=C2C=N1)C(=O)OC)Br
InChI
InChI=1S/C11H9BrN2O3/c1-6(15)14-10-4-7(12)3-8(11(16)17-2)9(10)5-13-14/h3-5H,1-2H3
InChIKey
OPFAXWVSQSRJFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
65.07
TPSA
61.19
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
2
Consensus LogP
2.08
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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