![CAS 219508-27-7 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3638-jpgcontextbwfzdgvyfhjvb3r8mzi1otn8aw1hz2uvanblz3xomgmvadhllzg5mzi3mtc0mjg3njyvvdm2mzguanbnfdc4nthknwu5ymqwnmnmngnkotu3ztvhodixyjjkmwy0zje0y2nmndc5ngewndq5m2jim2i0ndljowy4otmyywq.jpeg)
CAS RN: 219508-27-7
2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251203 | 100mg / 200mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: SSC-105568
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
219508-27-7 / 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
Basic Information
CAS
219508-27-7
Multi CAS
No
Molecular Formula
C8H5F3N4
Molecular Weight
214.150000
Exact Mass
214.046631
SMILES
C1=CC=NC(=C1)C2=NNC(=N2)C(F)(F)F
InChI
InChI=1S/C8H5F3N4/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5/h1-4H,(H,13,14,15)
InChIKey
MOGTVLAYAVGOJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.62
TPSA
54.46
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
1.5
Consensus LogP
1.68
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.69
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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![CAS 149809-43-8 (3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl p-Toluenesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4537-jpgcontextbwfzdgvyfhjvb3r8mzixmdb8aw1hz2uvanblz3xonjivadhjlzg5mzayotuwodcxmzqvrdq1mzcuanbnfdg5nmzmmzy0y2uwnjrjy2i5nwrhzwmwzjgzngmwytblmzjhmtq5mdy1yzqwnzzjy2vhyjexyzjjyjzimdu4zdu.jpeg)
