![CAS 1345121-21-2 methyl 4-bromo-5-methylH-pyrazolo[1,5-a]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1345121-21-2.gif)
CAS RN: 1345121-21-2
methyl 4-bromo-5-methylH-pyrazolo[1,5-a]pyridine-3-carboxylate
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.20250624 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1345121-21-2
- Purity/Analytical Methods: >99.0%
1345121-21-2 / methyl 4-bromo-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
Basic Information
CAS
1345121-21-2
Multi CAS
No
Molecular Formula
C10H9BrN2O2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CC1=C(C2=C(C=NN2C=C1)C(=O)OC)Br
InChI
InChI=1S/C10H9BrN2O2/c1-6-3-4-13-9(8(6)11)7(5-12-13)10(14)15-2/h3-5H,1-2H3
InChIKey
CDRWSKQVCBKDAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.97
TPSA
43.6
LogP / Solubility
WLOGP
2.19
MLOGP
1.94
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.81
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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