![CAS 294194-46-0 3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/294194-46-0.png)
CAS RN: 294194-46-0
3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid(SALTDATA: FREE)
- Product code: SSC-132257
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
294194-46-0 / 3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Basic Information
CAS
294194-46-0
Multi CAS
No
Molecular Formula
BC9H8O2Rn3
Molecular Weight
270.080000
Exact Mass
268.979990
InChI
InChI=1S/C9H8BrN3O2/c1-4-3-5(2)13-8(11-4)6(10)7(12-13)9(14)15/h3H,1-2H3,(H,14,15)
InChIKey
HIELEKYFBAMFQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.12
TPSA
67.49
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.7
Consensus LogP
1.7
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
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)
-3.08
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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