![CAS 135995-45-8 Ethyl 8-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/135995-45-8.gif)
CAS RN: 135995-45-8
Ethyl 8-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260224 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS135995-45-8
- Purity/Analytical Methods: >99.0%
135995-45-8 / ethyl 8-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylate
Basic Information
CAS
135995-45-8
Multi CAS
No
Molecular Formula
C11H11BrN2O2
Molecular Weight
283.120000
Exact Mass
282.000390
SMILES
CCOC(=O)C1=CN2C(=CC=C(C2=N1)Br)C
InChI
InChI=1S/C11H11BrN2O2/c1-3-16-11(15)9-6-14-7(2)4-5-8(12)10(14)13-9/h4-6H,3H2,1-2H3
InChIKey
MCVBSXMGJRXQSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.59
TPSA
43.6
LogP / Solubility
WLOGP
2.58
MLOGP
2.28
XLogP3
3.4
Consensus LogP
2.75
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.61
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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