![2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate structure](/static/products/866/866144-67-4.png)
2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate
TL;DR: 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate (CAS 866144-67-4) is a chemical compound with molecular formula C13H12N4O3S and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl thiophene-2-carboxylate
Also Known As: 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate, 9T-0221, 2-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethyl thiophene-2-carboxylate, 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl thiophene-2-carboxylate, 2-(1,7-Dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate
| Molecular Formula | C13H12N4O3S |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 1.18702 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.06302 |
| Heavy Atoms | 21 |
| Complexity | 834.84375 |
Chemical Identifiers
| CAS Number | 866144-67-4 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC=CS3 |
Product Overview
2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate (CAS 866144-67-4), with molecular formula C13H12N4O3S and molecular weight 304.06 g/mol. IUPAC: 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl thiophene-2-carboxylate.
Chemical Property Profile of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate
Property Insights of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate
The XLogP value of 1.18702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 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-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate?
The CAS number of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate is 866144-67-4.
What is the molecular formula of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate?
The molecular formula of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate is C13H12N4O3S.
What is the molecular weight of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate?
The molecular weight of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate is 304.06 g/mol.
Where can I buy 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate?
You can request a quote for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.