![CAS 885223-66-5 3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885223-66-5.gif)
CAS RN: 885223-66-5
3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
- Product code: SSC-199260
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 | Shanghai | Inquiry |
885223-66-5 / 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
Basic Information
CAS
885223-66-5
Multi CAS
No
Molecular Formula
C8H7N3O
Molecular Weight
161.160000
Exact Mass
161.058912
InChI
InChI=1S/C8H7N3O/c1-5-7-2-6(4-12)3-9-8(7)11-10-5/h2-4H,1H3,(H,9,10,11)
InChIKey
YMYSKVUFMABIMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.01
TPSA
58.64
LogP / Solubility
WLOGP
1.08
MLOGP
0.94
XLogP3
0.7
Consensus LogP
0.91
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS885226-07-3
- Purity/Analytical method: >99.0%
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