![CAS 429690-42-6 ethyl 3-bromoH-imidazo[1,2-a]pyridine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/429690-42-6.gif)
CAS RN: 429690-42-6
ethyl 3-bromoH-imidazo[1,2-a]pyridine-5-carboxylate
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS429690-42-6
- Purity/Analytical Methods: >99.0%
429690-42-6 / ethyl 3-bromoimidazo[1,2-a]pyridine-5-carboxylate
Basic Information
CAS
429690-42-6
Multi CAS
Yes
Molecular Formula
BC10H9O2Rn2
Molecular Weight
269.090000
Exact Mass
267.984740
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)7-4-3-5-9-12-6-8(11)13(7)9/h3-6H,2H2,1H3
InChIKey
ITQLDBAJPTYSON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.85
TPSA
43.6
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
3.3
Consensus LogP
2.53
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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