![CAS 944580-97-6 2-(3-Nitro-phenyl)-7-trifluoromethyl-imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944580-97-6.gif)
CAS RN: 944580-97-6
2-(3-Nitro-phenyl)-7-trifluoromethyl-imidazo[1,2-a]pyridine
- Product code: SSC-209318
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 |
944580-97-6 / 2-(3-nitrophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine
Basic Information
CAS
944580-97-6
Multi CAS
No
Molecular Formula
C14F3H8N3O2
Molecular Weight
307.230000
Exact Mass
307.056861
InChI
InChI=1S/C14H8F3N3O2/c15-14(16,17)10-4-5-19-8-12(18-13(19)7-10)9-2-1-3-11(6-9)20(21)22/h1-8H
InChIKey
SAETVOZSUBWKHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.28
TPSA
60.44
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
4.1
Consensus LogP
3.83
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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