![CAS 2230052-64-7 5-Bromo-3-iodopyrazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/2230052-64-7.png)
CAS RN: 2230052-64-7
5-Bromo-3-iodopyrazolo[1,5-a]pyrimidine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260618 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
2230052-64-7 / 5-bromo-3-iodopyrazolo[1,5-a]pyrimidine
5-Bromo-3-iodopyrazolo[1,5-a]pyrimidine | MFCD30188736 | 5-bromo-3-iodo-pyrazolo[1,5-a]pyrimidine
Basic Information
CAS
2230052-64-7
Multi CAS
No
Molecular Formula
C6H3BRIN3
Molecular Weight
323.920000
Exact Mass
322.855510
SMILES
C1=CN2C(=C(C=N2)I)N=C1Br
InChI
InChI=1S/C6H3BrIN3/c7-5-1-2-11-6(10-5)4(8)3-9-11/h1-3H
InChIKey
XYCVNPNIUMYCGU-UHFFFAOYSA-N
Synonyms
5-Bromo-3-iodopyrazolo[1,5-a]pyrimidine
MFCD30188736
5-bromo-3-iodo-pyrazolo[1,5-a]pyrimidine
G66603
F555765
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
53.4
TPSA
30.19
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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