![CAS 1416713-95-5 3-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416713-95-5.gif)
CAS RN: 1416713-95-5
3-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251121 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-052202
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1416713-95-5 / 3-bromo-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
Basic Information
CAS
1416713-95-5
Multi CAS
No
Molecular Formula
C11H12BrN3O
Molecular Weight
282.140000
Exact Mass
281.016370
SMILES
C1CCOC(C1)N2C3=C(C=CN=C3)C(=N2)Br
InChI
InChI=1S/C11H12BrN3O/c12-11-8-4-5-13-7-9(8)15(14-11)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2
InChIKey
FGNKYLRTNDVIHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
64.07
TPSA
39.94
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
2.3
Consensus LogP
2.58
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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