![CAS 1134328-01-0 5-(benzyloxy)-1H-pyrazolo[4,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1134328-01-0.gif)
CAS RN: 1134328-01-0
5-(benzyloxy)-1H-pyrazolo[4,3-b]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250819 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1134328-01-0
- Purity/Analytical Methods: >99.0%
1134328-01-0 / 5-phenylmethoxy-1H-pyrazolo[4,5-b]pyridine
5-(Benzyloxy)-1H-pyrazolo[4,3-b]pyridine | 5-benzyloxy-1h-pyrazolo[4,3-b]pyridine | MFCD11858403
Basic Information
CAS
1134328-01-0
Multi CAS
No
Molecular Formula
C13H11N3O
Molecular Weight
225.250000
Exact Mass
225.090212
SMILES
C1=CC=C(C=C1)COC2=NC3=C(C=C2)NN=C3
InChI
InChI=1S/C13H11N3O/c1-2-4-10(5-3-1)9-17-13-7-6-11-12(15-13)8-14-16-11/h1-8H,9H2,(H,14,16)
InChIKey
RNSDDLWGPHWZHW-UHFFFAOYSA-N
Synonyms
5-(Benzyloxy)-1H-pyrazolo[4,3-b]pyridine
5-benzyloxy-1h-pyrazolo[4,3-b]pyridine
MFCD11858403
5-phenylmethoxy-1H-pyrazolo[4,3-b]pyridine
AS-0777
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.66
TPSA
50.8
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.29
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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