![CAS 1429309-29-4 3-BroMo-6-ethyl-7-Methoxy-5-Methylpyrazolo[1,5-a]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429309-29-4.gif)
CAS RN: 1429309-29-4
3-BroMo-6-ethyl-7-Methoxy-5-Methylpyrazolo[1,5-a]pyriMidine
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.20250113 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1429309-29-4
- Purity/Analytical Methods: >99.0%
1429309-29-4 / 3-bromo-6-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine
Basic Information
CAS
1429309-29-4
Multi CAS
No
Molecular Formula
C10H12BrN3O
Molecular Weight
270.130000
Exact Mass
269.016370
SMILES
CCC1=C(N2C(=C(C=N2)Br)N=C1C)OC
InChI
InChI=1S/C10H12BrN3O/c1-4-7-6(2)13-9-8(11)5-12-14(9)10(7)15-3/h5H,4H2,1-3H3
InChIKey
LCFNCWZQSPCKFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.35
TPSA
39.42
LogP / Solubility
WLOGP
2.37
MLOGP
2.1
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.68
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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