![CAS 1936429-06-9 tert-butyl 3-bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate(WX142184) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1936429-06-9.gif)
CAS RN: 1936429-06-9
tert-butyl 3-bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate(WX142184)
- Product code: SSC-091388
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: 0.05g, 0.25g, 1g, 10g, 0.1g, 5g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 0.05g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 4 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 3 In Stock | Beijing | Inquiry |
1936429-06-9 / tert-butyl 3-bromo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
Basic Information
CAS
1936429-06-9
Multi CAS
No
Molecular Formula
C11H16BrN3O2
Molecular Weight
302.170000
Exact Mass
301.042590
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)Br
InChI
InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)15-5-4-8-7(6-15)9(12)14-13-8/h4-6H2,1-3H3,(H,13,14)
InChIKey
CJOZZZFCHFPLJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.64
TPSA
58.22
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2
Consensus LogP
2.22
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
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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