![CAS 473994-46-6 methyl 7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/473994-46-6.gif)
CAS RN: 473994-46-6
methyl 7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
- Product code: SSC-154333
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 | Hong Kong | Inquiry |
473994-46-6 / methyl 7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Basic Information
CAS
473994-46-6
Multi CAS
No
Molecular Formula
C8F3H5N4O2
Molecular Weight
246.150000
Exact Mass
246.036460
InChI
InChI=1S/C8H5F3N4O2/c1-17-6(16)5-13-7-12-3-2-4(8(9,10)11)15(7)14-5/h2-3H,1H3
InChIKey
CZSGRURWOODKEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
47.12
TPSA
69.38
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
1.2
Consensus LogP
0.98
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
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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