![CAS 1251012-11-9 3-Hydroxy-1,5,6,7-Tetrahydro-Pyrazolo[4,3-B]Pyridine-4-Carboxylic Acid Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251012-11-9.gif)
CAS RN: 1251012-11-9
3-Hydroxy-1,5,6,7-Tetrahydro-Pyrazolo[4,3-B]Pyridine-4-Carboxylic Acid Tert-Butyl 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.20260120 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1251012-11-9
- Purity/Analytical Methods: >99.0%
1251012-11-9 / tert-butyl 3-oxo-2,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-4-carboxylate
Basic Information
CAS
1251012-11-9
Multi CAS
No
Molecular Formula
C11H17N3O3
Molecular Weight
239.270000
Exact Mass
239.126991
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1C(=O)NN2
InChI
InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)14-6-4-5-7-8(14)9(15)13-12-7/h4-6H2,1-3H3,(H2,12,13,15)
InChIKey
JHPPMMMQUMWGOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.31
TPSA
78.19
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-3.19
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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