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CAS 1204809-95-9 5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyrazine molecular structure lightbox
CAS RN: 1204809-95-9

5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyrazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1204809-95-9
  • Purity/Analytical Methods: >99.0%
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1204809-95-9 / 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyrazine

5-BROMO-3-IODO-1H-PYRAZOLO[3,4-B]PYRAZINE | 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyrazine | MFCD18250184

Standard CAS: 1204809-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1204809-95-9
Multi CAS
No
Molecular Formula
C5H2BrIN4
Molecular Weight
324.900000
Exact Mass
323.850760
SMILES
C1=NC2=NNC(=C2N=C1Br)I
InChI
InChI=1S/C5H2BrIN4/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H,8,10,11)
InChIKey
QKAKABOWOSANSK-UHFFFAOYSA-N
Synonyms
5-BROMO-3-IODO-1H-PYRAZOLO[3,4-B]PYRAZINE 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyrazine MFCD18250184 C5H2BrIN4 SCHEMBL19743465

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.1
TPSA
54.46

LogP / Solubility

WLOGP
1.72
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.58
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-3.48

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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