![CAS 124961-84-8 2-Amino-5,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/124961-84-8.gif)
CAS RN: 124961-84-8
2-Amino-5,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
- Product code: SSC-029356
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 1 In Stock | Beijing | Inquiry |
124961-84-8 / 5,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Basic Information
CAS
124961-84-8
Multi CAS
No
Molecular Formula
C7H3F6N5
Molecular Weight
271.120000
Exact Mass
271.029264
SMILES
C1=C(N2C(=NC(=N2)N)N=C1C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H3F6N5/c8-6(9,10)2-1-3(7(11,12)13)18-5(15-2)16-4(14)17-18/h1H,(H2,14,17)
InChIKey
ZLAPDCLHPZTZOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.29
H-bond acceptors
5
H-bond donors
1
Molar refractivity
45.2
TPSA
69.1
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.87
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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