![CAS 145335-89-3 METHYL 6-CHLORO-H-IMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145335-89-3.gif)
CAS RN: 145335-89-3
METHYL 6-CHLORO-H-IMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLATE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS145335-89-3
- Purity/Analytical Methods: >99.0%
145335-89-3 / methyl 6-chloroimidazo[1,2-a]pyridine-8-carboxylate;hydrochloride
Basic Information
CAS
145335-89-3
Multi CAS
No
Molecular Formula
C9H8Cl2N2O2
Molecular Weight
247.070000
Exact Mass
245.996283
SMILES
COC(=O)C1=CC(=CN2C1=NC=C2)Cl.Cl
InChI
InChI=1S/C9H7ClN2O2.ClH/c1-14-9(13)7-4-6(10)5-12-3-2-11-8(7)12;/h2-5H,1H3;1H
InChIKey
BEDLMSJILJVABY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.79
TPSA
43.6
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
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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