![CAS 937597-44-9 6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/937597-44-9.gif)
CAS RN: 937597-44-9
6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
- Product code: SSC-208216
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 | Beijing | Inquiry |
937597-44-9 / 6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
Basic Information
CAS
937597-44-9
Multi CAS
No
Molecular Formula
C11H11N3O2
Molecular Weight
217.220000
Exact Mass
217.085127
InChI
InChI=1S/C11H11N3O2/c1-14-10-8(5-12-14)7(11(15)16)4-9(13-10)6-2-3-6/h4-6H,2-3H2,1H3,(H,15,16)
InChIKey
GRXOHEXNROQVRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.44
TPSA
68.01
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
0.9
Consensus LogP
1.27
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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