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CAS 116035-73-5 6-bromo-5-methyl-3H-imidazo[4,5-b]pyridin-2-ol molecular structure lightbox
CAS RN: 116035-73-5

6-bromo-5-methyl-3H-imidazo[4,5-b]pyridin-2-ol

  • Product code: SSC-016117
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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 116035-73-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

116035-73-5 / 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-ol | 6-BROMO-5-METHYL-1H-IMIDAZO(4,5-B)PYRIDIN-2-OL | 6-Bromo-1,3-dihydro-5-methyl-2H-imidazo[4,5-b]pyridin-2-one

Standard CAS: 116035-73-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116035-73-5
Multi CAS
Yes
Molecular Formula
C7H6BrN3O
Molecular Weight
228.050000
Exact Mass
226.969420
SMILES
CC1=C(C=C2C(=N1)NC(=O)N2)Br
InChI
InChI=1S/C7H6BrN3O/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKey
MVEUCAYEKFZDEG-UHFFFAOYSA-N
Synonyms
6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-ol 6-BROMO-5-METHYL-1H-IMIDAZO(4,5-B)PYRIDIN-2-OL 6-Bromo-1,3-dihydro-5-methyl-2H-imidazo[4,5-b]pyridin-2-one 6-Bromo-1,3-dihydro-5-methyl-2H-imidazo(4,5-b)pyridin-2-one RefChem:541090

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.15
TPSA
61.54

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
0.9
Consensus LogP
1.13
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-3.17

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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