![CAS 90840-53-2 ethyl 7-Methylpyrazolo[1,5-a]pyriMidine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90840-53-2.gif)
CAS RN: 90840-53-2
ethyl 7-Methylpyrazolo[1,5-a]pyriMidine-5-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.20251015 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS90840-53-2
- Purity/Analytical Methods: >99.0%
90840-53-2 / ethyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
Basic Information
CAS
90840-53-2
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
InChI
InChI=1S/C10H11N3O2/c1-3-15-10(14)8-6-7(2)13-9(12-8)4-5-11-13/h4-6H,3H2,1-2H3
InChIKey
CPUUJUPNKVHGCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.68
TPSA
56.49
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
1.3
Consensus LogP
1.19
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.11
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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