![CAS 851398-34-0 1,6-DIISOPROPYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6471602.gif)
CAS RN: 851398-34-0
1,6-DIISOPROPYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID
- Product code: SSC-193294
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 |
851398-34-0 / 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
Basic Information
CAS
851398-34-0
Multi CAS
No
Molecular Formula
C13H17N3O2
Molecular Weight
247.290000
Exact Mass
247.132077
InChI
InChI=1S/C13H17N3O2/c1-7(2)11-5-9(13(17)18)10-6-14-16(8(3)4)12(10)15-11/h5-8H,1-4H3,(H,17,18)
InChIKey
DMECABOZAOLLJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.96
TPSA
68.01
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.2
Consensus LogP
2.51
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-2.22
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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