![CAS 832740-60-0 3-BROMOPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5166862.gif)
CAS RN: 832740-60-0
3-BROMOPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
- Product code: SSC-191176
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
832740-60-0 / 3-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Basic Information
CAS
832740-60-0
Multi CAS
No
Molecular Formula
BC7H4O2Rn3
Molecular Weight
242.030000
Exact Mass
240.948690
InChI
InChI=1S/C7H4BrN3O2/c8-4-5(7(12)13)10-11-3-1-2-9-6(4)11/h1-3H,(H,12,13)
InChIKey
JEBAERKIRWXWQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.65
TPSA
67.49
LogP / Solubility
WLOGP
1.19
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.05
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.35
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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