![CAS 1980053-08-4 4-[8-(Trifluoromethyl)imidazo-[1,2-a]pyridin-2-yl]benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1980053-08-4.gif)
CAS RN: 1980053-08-4
4-[8-(Trifluoromethyl)imidazo-[1,2-a]pyridin-2-yl]benzonitrile
- Product code: SSC-093342
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1980053-08-4 / 4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
Basic Information
CAS
1980053-08-4
Multi CAS
No
Molecular Formula
C15H8F3N3
Molecular Weight
287.240000
Exact Mass
287.067032
SMILES
C1=CN2C=C(N=C2C(=C1)C(F)(F)F)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C15H8F3N3/c16-15(17,18)12-2-1-7-21-9-13(20-14(12)21)11-5-3-10(8-19)4-6-11/h1-7,9H
InChIKey
RONGFIJDRONUKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
70.35
TPSA
41.09
LogP / Solubility
WLOGP
3.89
MLOGP
3.44
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1980063-31-7 4-[2-(Boc-amino)-3-hydroxy-1-phenylpropyl]phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1980063-31-7.gif)
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