![CAS 20419-67-4 3-BROMO-1,4-DIHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20419-67-4.gif)
CAS RN: 20419-67-4
3-BROMO-1,4-DIHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-096045
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 |
20419-67-4 / 3-bromo-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
Basic Information
CAS
20419-67-4
Multi CAS
No
Molecular Formula
C5H3BrN4O
Molecular Weight
215.010000
Exact Mass
213.949020
SMILES
C1=NC2=C(NN=C2C(=O)N1)Br
InChI
InChI=1S/C5H3BrN4O/c6-4-2-3(9-10-4)5(11)8-1-7-2/h1H,(H,9,10)(H,7,8,11)
InChIKey
IGKYPDHJIIUUDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.21
TPSA
74.43
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.39
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-3.74
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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