CAS RN: 1782238-57-6

2-BroMo-6-chloro-[1,2,4]triazolo[1,5-a]pyridine

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7 package records6 with current stock1 grade group
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Batchno.20251007 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260122 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250516 10g In stock Shanghai Inquiry
Batchno.20260131 1g In stock Shanghai Inquiry
Batchno.20250105 250mg In stock Shanghai Inquiry
Batchno.20251124 25g In stock Shanghai Inquiry
Batchno.20250319 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1782238-57-6
  • Purity/Analytical Methods: >99.0%
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1782238-57-6 / 2-bromo-6-chloro-[1,2,4]triazolo[1,5-a]pyridine

Standard CAS: 1782238-57-6 Multi CAS: No

Basic Information

CAS
1782238-57-6
Multi CAS
No
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=CC2=NC(=NN2C=C1Cl)Br
InChI
InChI=1S/C6H3BrClN3/c7-6-9-5-2-1-4(8)3-11(5)10-6/h1-3H
InChIKey
FBUHJKIORPIVLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.7
TPSA
30.19

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2.4
Consensus LogP
2.15
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.61

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
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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