![Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate structure](/static/products/905/90559-98-1.png)
Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
TL;DR: Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 90559-98-1) is a chemical compound with molecular formula C9H11N5O2S and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: Tomoxiprole, Maybridge1_001795, Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C9H11N5O2S |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 0.6051 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.06334 |
| Heavy Atoms | 17 |
| Complexity | 567.7567 |
Chemical Identifiers
| CAS Number | 90559-98-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N2C(=NC(=N2)SC)N=C1)N |
Product Overview
Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 90559-98-1), with molecular formula C9H11N5O2S and molecular weight 253.06 g/mol. IUPAC: ethyl 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Property Insights of Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
The XLogP value of 0.6051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 7 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 Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The CAS number of Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 90559-98-1.
What is the molecular formula of Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular formula of Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is C9H11N5O2S.
What is the molecular weight of Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular weight of Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 253.06 g/mol.
Where can I buy Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
You can request a quote for Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.