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CAS 1159831-04-5 8-bromoimidazo[1,2-a]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1159831-04-5

8-bromoimidazo[1,2-a]pyridine-3-carboxylic acid

  • Product code: SSC-015967
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥98%
  • 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 1159831-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry
0.25g ≥98% 0 Out of Stock Beijing Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

1159831-04-5 / 8-bromoimidazo[1,2-a]pyridine-3-carboxylic acid

8-BROMOIMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID | 8-Bromoimidazo(1,2-a)pyridine-3-carboxylic acid | RefChem:547845

Standard CAS: 1159831-04-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159831-04-5
Multi CAS
No
Molecular Formula
C8H5BrN2O2
Molecular Weight
241.040000
Exact Mass
239.953440
SMILES
C1=CN2C(=CN=C2C(=C1)Br)C(=O)O
InChI
InChI=1S/C8H5BrN2O2/c9-5-2-1-3-11-6(8(12)13)4-10-7(5)11/h1-4H,(H,12,13)
InChIKey
IGHXXXOPUINBRQ-UHFFFAOYSA-N
Synonyms
8-BROMOIMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID 8-Bromoimidazo(1,2-a)pyridine-3-carboxylic acid RefChem:547845 840-426-1 MFCD12401607

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.85
TPSA
54.6

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
2.3
Consensus LogP
1.89
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.92

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
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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