![CAS 113967-71-8 7-AMINO-2-(METHYLSULFANYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/113967-71-8.gif)
CAS RN: 113967-71-8
7-AMINO-2-(METHYLSULFANYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250715 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS113967-71-8
- Purity/Analytical Methods: >99.0%
113967-71-8 / 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
7-amino-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid | 7-Amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid | 7-amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Basic Information
CAS
113967-71-8
Multi CAS
No
Molecular Formula
C7H7N5O2S
Molecular Weight
225.230000
Exact Mass
225.032046
SMILES
CSC1=NN2C(=C(C=NC2=N1)C(=O)O)N
InChI
InChI=1S/C7H7N5O2S/c1-15-7-10-6-9-2-3(5(13)14)4(8)12(6)11-7/h2H,8H2,1H3,(H,13,14)
InChIKey
LGVRZGGAFXBZNJ-UHFFFAOYSA-N
Synonyms
7-amino-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
7-Amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
7-amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
MFCD00067817
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
53.93
TPSA
106.4
LogP / Solubility
WLOGP
0.13
MLOGP
0.11
XLogP3
0.7
Consensus LogP
0.31
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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
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 113967-74-1 2-(METHYLTHIO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/113967-74-1.gif)
