![CAS 2108131-55-9 8-Fluoro-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2108131-55-9.gif)
CAS RN: 2108131-55-9
8-Fluoro-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
- Product code: SSC-100506
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2108131-55-9 / ethyl 8-fluoroimidazo[1,2-a]pyridine-3-carboxylate
Basic Information
CAS
2108131-55-9
Multi CAS
No
Molecular Formula
C10H9FN2O2
Molecular Weight
208.190000
Exact Mass
208.064806
SMILES
CCOC(=O)C1=CN=C2N1C=CC=C2F
InChI
InChI=1S/C10H9FN2O2/c1-2-15-10(14)8-6-12-9-7(11)4-3-5-13(8)9/h3-6H,2H2,1H3
InChIKey
WCXKDWXTDFFOGS-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
51.11
TPSA
43.6
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
2.4
Consensus LogP
1.83
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
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)
-2.82
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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