![CAS 1226776-92-6 Pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid diethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226776-92-6.gif)
CAS RN: 1226776-92-6
Pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid diethyl 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.20260518 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-025787
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1226776-92-6 / diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
Basic Information
CAS
1226776-92-6
Multi CAS
No
Molecular Formula
C13H14N2O4
Molecular Weight
262.260000
Exact Mass
262.095357
SMILES
CCOC(=O)C1=C2C=CC=CN2N=C1C(=O)OCC
InChI
InChI=1S/C13H14N2O4/c1-3-18-12(16)10-9-7-5-6-8-15(9)14-11(10)13(17)19-4-2/h5-8H,3-4H2,1-2H3
InChIKey
NAXXLPOSQSYXEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
67.11
TPSA
69.9
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
1.8
Consensus LogP
1.66
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1226781-80-1 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226781-80-1.gif)
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