CAS RN: 1423031-35-9

imidazo[1,2-a]pyridine-7-carboxylic acid hydrochloride

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  • Product code: starshine_CAS1423031-35-9
  • Purity/Analytical Methods: >99.0%
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1423031-35-9 / imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride

Standard CAS: 1423031-35-9 Multi CAS: No

Basic Information

CAS
1423031-35-9
Multi CAS
No
Molecular Formula
C8H7ClN2O2
Molecular Weight
198.600000
Exact Mass
198.019605
SMILES
C1=CN2C=CN=C2C=C1C(=O)O.Cl
InChI
InChI=1S/C8H6N2O2.ClH/c11-8(12)6-1-3-10-4-2-9-7(10)5-6;/h1-5H,(H,11,12);1H
InChIKey
OQGRMPZJJDBYBL-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
49.4
TPSA
54.6

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.45
Consensus LogP
1.39
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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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