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CAS 127657-46-9 2-(IMidazo[1,2-a]pyridin-3-yl)acetic acid hydrochloride molecular structure lightbox
CAS RN: 127657-46-9

2-(IMidazo[1,2-a]pyridin-3-yl)acetic acid hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS127657-46-9
  • Purity/Analytical Methods: >99.0%
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127657-46-9 / 2-imidazo[1,2-a]pyridin-3-ylacetic acid;hydrochloride

Standard CAS: 127657-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127657-46-9
Multi CAS
No
Molecular Formula
C9H9ClN2O2
Molecular Weight
212.630000
Exact Mass
212.035255
SMILES
C1=CC2=NC=C(N2C=C1)CC(=O)O.Cl
InChI
InChI=1S/C9H8N2O2.ClH/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8;/h1-4,6H,5H2,(H,12,13);1H
InChIKey
SGNOGHAGXLAOHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.78
TPSA
54.6

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.38
Consensus LogP
1.33
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.04

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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