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CAS 1209459-76-6 6-bromopyrazine-2-carboxamide molecular structure lightbox
CAS RN: 1209459-76-6

6-bromopyrazine-2-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1209459-76-6
  • Purity/Analytical Methods: >99.0%
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1209459-76-6 / 6-bromopyrazine-2-carboxamide

6-BROMOPYRAZINE-2-CARBOXAMIDE | MFCD14702807 | SCHEMBL13837305

Standard CAS: 1209459-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209459-76-6
Multi CAS
No
Molecular Formula
C5H4BrN3O
Molecular Weight
202.010000
Exact Mass
200.953770
SMILES
C1=C(N=C(C=N1)Br)C(=O)N
InChI
InChI=1S/C5H4BrN3O/c6-4-2-8-1-3(9-4)5(7)10/h1-2H,(H2,7,10)
InChIKey
PVULJUJAGMJHRA-UHFFFAOYSA-N
Synonyms
6-BROMOPYRAZINE-2-CARBOXAMIDE MFCD14702807 SCHEMBL13837305 MB14307 AS-76894

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.25
TPSA
68.87

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
0.3
Consensus LogP
0.31
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.71

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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