![CAS 2068065-03-0 Pyrazolo[1,5-a]pyridine-3-carboxaldehyde, 4-bromo-6-methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2068065-03-0.png)
CAS RN: 2068065-03-0
Pyrazolo[1,5-a]pyridine-3-carboxaldehyde, 4-bromo-6-methoxy-
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.20250115 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2068065-03-0
- Purity/Analytical Methods: >99.0%
2068065-03-0 / 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbaldehyde
Basic Information
CAS
2068065-03-0
Multi CAS
No
Molecular Formula
C9H7BrN2O2
Molecular Weight
255.070000
Exact Mass
253.969090
SMILES
COC1=CN2C(=C(C=N2)C=O)C(=C1)Br
InChI
InChI=1S/C9H7BrN2O2/c1-14-7-2-8(10)9-6(5-13)3-11-12(9)4-7/h2-5H,1H3
InChIKey
NGSDGWYCSBMTCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.83
TPSA
43.6
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.2
Consensus LogP
1.6
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.91
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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