![2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate structure](/static/products/116/1164477-65-9.png)
2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate
TL;DR: 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate (CAS 1164477-65-9) is a chemical compound with molecular formula C12H14N6O3S2 and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate, acetic acid; 2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C12H14N6O3S2 |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 1.26914 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.0569 |
| Heavy Atoms | 23 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 1164477-65-9 |
|---|---|
| SMILES | CC1=NC2=NC(=CC(=O)N2N1)CSC3=NN=C(S3)C.CC(=O)O |
| InChIKey | GZDXPASCXSLRGR-UHFFFAOYSA-N |
Product Overview
2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate (CAS 1164477-65-9), with molecular formula C12H14N6O3S2 and molecular weight 354.06 g/mol. IUPAC: acetic acid;2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate
Property Insights of 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate
The XLogP value of 1.26914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate. The TPSA of 174.0 Ų indicates high polarity, suggesting 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate?
The CAS number of 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate is 1164477-65-9.
What is the molecular formula of 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate?
The molecular formula of 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate is C12H14N6O3S2.
What is the molecular weight of 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate?
The molecular weight of 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate is 354.06 g/mol.
Where can I buy 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate?
You can request a quote for 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.