![CAS 760144-55-6 IMidazo[1,2-a]pyridine-8-carboxylic acid, 6-chloro-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/760144-55-6.gif)
CAS RN: 760144-55-6
IMidazo[1,2-a]pyridine-8-carboxylic acid, 6-chloro-, Methyl ester
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS760144-55-6
- Purity/Analytical Methods: >99.0%
760144-55-6 / methyl 6-chloroimidazo[1,2-a]pyridine-8-carboxylate
Basic Information
CAS
760144-55-6
Multi CAS
No
Molecular Formula
C9H7CLN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
InChI
InChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-6(10)5-12-3-2-11-8(7)12/h2-5H,1H3
InChIKey
LLUZMHIRKMOZMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.54
TPSA
43.6
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
2.2
Consensus LogP
1.84
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.75
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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