![CAS 1809889-70-0 2-METHYL-2H-PYRAZOLO[3,4-B]PYRIDINE-5-BORONIC ACID PINACOL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1809889-70-0.gif)
CAS RN: 1809889-70-0
2-METHYL-2H-PYRAZOLO[3,4-B]PYRIDINE-5-BORONIC ACID PINACOL ESTER
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.20250801 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-082271
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: 0.1g, 0.25g, 1g, 5g
- Available purity: ＞97%
- 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.
1809889-70-0 / 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine
Basic Information
CAS
1809889-70-0
Multi CAS
No
Molecular Formula
C13H18BN3O2
Molecular Weight
259.110000
Exact Mass
259.149207
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CN(N=C3N=C2)C
InChI
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)10-6-9-8-17(5)16-11(9)15-7-10/h6-8H,1-5H3
InChIKey
OTZJRKLLGMMELZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
74.23
TPSA
49.17
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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