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CAS 1204298-53-2 6-Bromopyrido[2,3-b]pyrazine molecular structure lightbox
CAS RN: 1204298-53-2

6-Bromopyrido[2,3-b]pyrazine

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251016 1g In stock Shanghai Inquiry
Batchno.20260329 250mg In stock Shanghai Inquiry
Batchno.20251110 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1204298-53-2
  • Purity/Analytical Methods: >99.0%
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1204298-53-2 / 6-bromopyrido[2,3-b]pyrazine

6-BROMOPYRIDO[2,3-B]PYRAZINE | DTXSID60716675 | 6-Bromopyrido(2,3-b)pyrazine

Standard CAS: 1204298-53-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1204298-53-2
Multi CAS
No
Molecular Formula
C7H4BrN3
Molecular Weight
210.030000
Exact Mass
208.958860
SMILES
C1=CC(=NC2=NC=CN=C21)Br
InChI
InChI=1S/C7H4BrN3/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-4H
InChIKey
JLMAHBCUEYQXKS-UHFFFAOYSA-N
Synonyms
6-BROMOPYRIDO[2,3-B]PYRAZINE DTXSID60716675 6-Bromopyrido(2,3-b)pyrazine RefChem:307683 DTXCID10667421

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
45.03
TPSA
38.67

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.5
Consensus LogP
1.62
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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
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, P403+P233, P405, and P501

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