![CAS 2442597-57-9 1H-Pyrazolo[4,3-b]pyridine-1-carboxylic acid, 5-chloro-6-methoxy-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2442597-57-9.gif)
CAS RN: 2442597-57-9
1H-Pyrazolo[4,3-b]pyridine-1-carboxylic acid, 5-chloro-6-methoxy-, 1,1-dimethylethyl 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.20260102 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-118869
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: ＞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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2442597-57-9 / tert-butyl 5-chloro-6-methoxypyrazolo[4,3-b]pyridine-1-carboxylate
Basic Information
CAS
2442597-57-9
Multi CAS
No
Molecular Formula
C12H14ClN3O3
Molecular Weight
283.710000
Exact Mass
283.072369
SMILES
CC(C)(C)OC(=O)N1C2=CC(=C(N=C2C=N1)Cl)OC
InChI
InChI=1S/C12H14ClN3O3/c1-12(2,3)19-11(17)16-8-5-9(18-4)10(13)15-7(8)6-14-16/h5-6H,1-4H3
InChIKey
PQNDIMUAHOCPSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
70.72
TPSA
66.24
LogP / Solubility
WLOGP
2.88
MLOGP
2.54
XLogP3
2.8
Consensus LogP
2.74
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
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)
-2.41
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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