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CAS 117103-53-4 2-Bromo-5-nitropyrazine molecular structure lightbox
CAS RN: 117103-53-4

2-Bromo-5-nitropyrazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-016939
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117103-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

117103-53-4 / 2-bromo-5-nitropyrazine

2-BROMO-5-NITROPYRAZINE | Pyrazine, 2-bromo-5-nitro- | 2-bromo-5-nitro-pyrazine

Standard CAS: 117103-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117103-53-4
Multi CAS
No
Molecular Formula
C4H2BrN3O2
Molecular Weight
203.980000
Exact Mass
202.933040
SMILES
C1=C(N=CC(=N1)Br)[N+](=O)[O-]
InChI
InChI=1S/C4H2BrN3O2/c5-3-1-7-4(2-6-3)8(9)10/h1-2H
InChIKey
AODWTNYHOYDRJJ-UHFFFAOYSA-N
Synonyms
2-BROMO-5-NITROPYRAZINE Pyrazine, 2-bromo-5-nitro- 2-bromo-5-nitro-pyrazine MFCD11870741 Pyrazine,2-bromo-5-nitro-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
36.39
TPSA
68.92

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
1
Consensus LogP
1.05
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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