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CAS 121594-49-8 2,5-dibromo-3,6-dimethylPyrazine molecular structure lightbox
CAS RN: 121594-49-8

2,5-dibromo-3,6-dimethylPyrazine

  • Product code: SSC-024144
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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 121594-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

121594-49-8 / 2,5-dibromo-3,6-dimethylpyrazine

Standard CAS: 121594-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121594-49-8
Multi CAS
No
Molecular Formula
C6H6Br2N2
Molecular Weight
265.930000
Exact Mass
265.887720
SMILES
CC1=C(N=C(C(=N1)Br)C)Br
InChI
InChI=1S/C6H6Br2N2/c1-3-5(7)10-4(2)6(8)9-3/h1-2H3
InChIKey
FSIFCRKBMPJZKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
46.91
TPSA
25.78

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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