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CAS 1207174-85-3 7-Bromo-3H-imidazo[4,5-b]… molecular structure lightbox
CAS RN: 1207174-85-3

7-Bromo-3H-imidazo[4,5-b]…

  • Product code: SSC-021879
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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 1207174-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1207174-85-3 / 7-bromo-1H-imidazo[4,5-b]pyridine

7-BROMO-1H-IMIDAZO[4,5-B]PYRIDINE | DTXSID00698421 | 7-Bromo-1H-imidazo(4,5-b)pyridine

Standard CAS: 1207174-85-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1207174-85-3
Multi CAS
No
Molecular Formula
C6H4BrN3
Molecular Weight
198.020000
Exact Mass
196.958860
SMILES
C1=CN=C2C(=C1Br)NC=N2
InChI
InChI=1S/C6H4BrN3/c7-4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,8,9,10)
InChIKey
DEFSPWZHYXXHLB-UHFFFAOYSA-N
Synonyms
7-BROMO-1H-IMIDAZO[4,5-B]PYRIDINE DTXSID00698421 7-Bromo-1H-imidazo(4,5-b)pyridine RefChem:310356 DTXCID00649170

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.59
TPSA
41.57

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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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