![CAS 1105193-32-5 2-Chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105193-32-5.gif)
CAS RN: 1105193-32-5
2-Chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-011562
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 | Shenzhen | Inquiry |
1105193-32-5 / 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
2-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine | 3-(6-chloropyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole | MFCD16653022
Basic Information
CAS
1105193-32-5
Multi CAS
No
Molecular Formula
C8H3ClF3N3O
Molecular Weight
249.580000
Exact Mass
248.991674
SMILES
C1=CC(=NC=C1C2=NOC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C8H3ClF3N3O/c9-5-2-1-4(3-13-5)6-14-7(16-15-6)8(10,11)12/h1-3H
InChIKey
YCZNZYRQOVINBE-UHFFFAOYSA-N
Synonyms
2-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine
3-(6-chloropyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
MFCD16653022
SCHEMBL14917797
SCHEMBL29877691
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.54
TPSA
51.81
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.6
Consensus LogP
2.62
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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