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CAS 1365988-38-0 2-Bromo-3-(trifluoromethyl)pyrazine molecular structure lightbox
CAS RN: 1365988-38-0

2-Bromo-3-(trifluoromethyl)pyrazine

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250603 100mg In stock Shanghai Inquiry
Batchno.20260223 1g In stock Shanghai Inquiry
Batchno.20260217 250mg In stock Shanghai Inquiry
Batchno.20250212 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1365988-38-0
  • Purity/Analytical Methods: >99.0%
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1365988-38-0 / 2-bromo-3-(trifluoromethyl)pyrazine

Standard CAS: 1365988-38-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1365988-38-0
Multi CAS
No
Molecular Formula
C5H2BrF3N2
Molecular Weight
226.980000
Exact Mass
225.935350
SMILES
C1=CN=C(C(=N1)C(F)(F)F)Br
InChI
InChI=1S/C5H2BrF3N2/c6-4-3(5(7,8)9)10-1-2-11-4/h1-2H
InChIKey
VGNSVGGZQMQYMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
34.73
TPSA
25.78

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
1.7
Consensus LogP
1.98
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
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)
-2.5

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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