![CAS 1634647-80-5 (6-fluoroimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1634647-80-5.gif)
CAS RN: 1634647-80-5
(6-fluoroimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250127 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1634647-80-5
- Purity/Analytical Methods: >99.0%
1634647-80-5 / (6-fluoroimidazo[1,2-a]pyridin-3-yl)-phenylmethanone
Basic Information
CAS
1634647-80-5
Multi CAS
No
Molecular Formula
C14H9FN2O
Molecular Weight
240.230000
Exact Mass
240.069891
SMILES
C1=CC=C(C=C1)C(=O)C2=CN=C3N2C=C(C=C3)F
InChI
InChI=1S/C14H9FN2O/c15-11-6-7-13-16-8-12(17(13)9-11)14(18)10-4-2-1-3-5-10/h1-9H
InChIKey
XQUTVRVWWJZXOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.02
TPSA
34.37
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
3.5
Consensus LogP
2.86
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.27
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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