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CAS 1784089-67-3 2-bromoimidazo[1,2-a]pyridine-7-carboxylic acid molecular structure lightbox
CAS RN: 1784089-67-3

2-bromoimidazo[1,2-a]pyridine-7-carboxylic acid

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Batchno.20250207 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1784089-67-3
  • Purity/Analytical Methods: >99.0%
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1784089-67-3 / 2-bromoimidazo[1,2-a]pyridine-7-carboxylic acid

Standard CAS: 1784089-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1784089-67-3
Multi CAS
No
Molecular Formula
C8H5BrN2O2
Molecular Weight
241.040000
Exact Mass
239.953440
SMILES
C1=CN2C=C(N=C2C=C1C(=O)O)Br
InChI
InChI=1S/C8H5BrN2O2/c9-6-4-11-2-1-5(8(12)13)3-7(11)10-6/h1-4H,(H,12,13)
InChIKey
PEZKEUGUWBNUMB-UHFFFAOYSA-N

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

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