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CAS 1189704-56-0 2-Bromo-5-phenoxypyrazine molecular structure lightbox
CAS RN: 1189704-56-0

2-Bromo-5-phenoxypyrazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: LINB929114
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1189704-56-0 / 2-bromo-5-phenoxypyrazine

2-Bromo-5-phenoxypyrazine | RefChem:466919 | 989-561-9

Standard CAS: 1189704-56-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1189704-56-0
Multi CAS
No
Molecular Formula
C10H7BrN2O
Molecular Weight
251.080000
Exact Mass
249.974180
SMILES
C1=CC=C(C=C1)OC2=CN=C(C=N2)Br
InChI
InChI=1S/C10H7BrN2O/c11-9-6-13-10(7-12-9)14-8-4-2-1-3-5-8/h1-7H
InChIKey
APZCCTWVBMVYJN-UHFFFAOYSA-N
Synonyms
2-Bromo-5-phenoxypyrazine RefChem:466919 989-561-9 PXB70456

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.25
TPSA
35.01

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
2.7
Consensus LogP
2.8
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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