![CAS 1198569-35-5 3-Bromopyrazolo[1,5-a]pyrimidin-5(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1198569-35-5.gif)
CAS RN: 1198569-35-5
3-Bromopyrazolo[1,5-a]pyrimidin-5(4H)-one
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.20250103 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1198569-35-5
- Purity/Analytical Methods: >99.0%
1198569-35-5 / 3-bromo-4H-pyrazolo[1,5-a]pyrimidin-5-one
3-bromopyrazolo[1,5-a]pyrimidin-5(4H)-one | 3-BROMOPYRAZOLO[1,5-A]PYRIMIDIN-5-OL | 3-bromo-4H-pyrazolo[1,5-a]pyrimidin-5-one
Basic Information
CAS
1198569-35-5
Multi CAS
Yes
Molecular Formula
C6H4BrN3O
Molecular Weight
214.020000
Exact Mass
212.953770
SMILES
C1=CN2C(=C(C=N2)Br)NC1=O
InChI
InChI=1S/C6H4BrN3O/c7-4-3-8-10-2-1-5(11)9-6(4)10/h1-3H,(H,9,11)
InChIKey
ZBAOMHWFUFZVNN-UHFFFAOYSA-N
Synonyms
3-bromopyrazolo[1,5-a]pyrimidin-5(4H)-one
3-BROMOPYRAZOLO[1,5-A]PYRIMIDIN-5-OL
3-bromo-4H-pyrazolo[1,5-a]pyrimidin-5-one
MFCD12406134
Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-bromo-
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.51
TPSA
50.16
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.4
Consensus LogP
0.63
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.47
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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