CAS RN: 1504978-02-2

2-hydroxyimidazo[1,2-a]pyridine-5-carboxylic acid

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Batchno.20250423 100mg Out of stock Inquiry
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  • Product code: starshine_CAS1504978-02-2
  • Purity/Analytical Methods: >99.0%
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1504978-02-2 / 2-hydroxyimidazo[1,2-a]pyridine-5-carboxylic acid

Standard CAS: 1504978-02-2 Multi CAS: No

Basic Information

CAS
1504978-02-2
Multi CAS
No
Molecular Formula
C8H6N2O3
Molecular Weight
178.140000
Exact Mass
178.037842
SMILES
C1=CC2=NC(=CN2C(=C1)C(=O)O)O
InChI
InChI=1S/C8H6N2O3/c11-7-4-10-5(8(12)13)2-1-3-6(10)9-7/h1-4,11H,(H,12,13)
InChIKey
HQGFNQRYEPGUBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.82
TPSA
74.83

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
1.6
Consensus LogP
1
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
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)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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