![CAS 139181-28-5 2-(furan-2-yl)-5-(methylsulfonyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/139181-28-5.gif)
CAS RN: 139181-28-5
2-(furan-2-yl)-5-(methylsulfonyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
- Product code: SSC-049583
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
- Available purity: >95%
- Inventory rows with stock: 7
- 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 | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 1g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
139181-28-5 / 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
Basic Information
CAS
139181-28-5
Multi CAS
No
Molecular Formula
C9H8N6O3S
Molecular Weight
280.270000
Exact Mass
280.037859
SMILES
CS(=O)(=O)C1=NC2=NC(=NN2C(=N1)N)C3=CC=CO3
InChI
InChI=1S/C9H8N6O3S/c1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h2-4H,1H3,(H2,10,11,12,13,14)
InChIKey
GADARANMSDTFBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
1
Molar refractivity
63.8
TPSA
129.27
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.2
XLogP3
-0.1
Consensus LogP
-0.18
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.6
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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