![Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate structure](/static/products/831/831237-83-3.png)
Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate
TL;DR: Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate (CAS 831237-83-3) is a chemical compound with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
Also Known As: UPCMLD0ENAT5750352:001, ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate, ethyl 4-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)-3-oxobutanoate, ethyl 4-(5,7-dimethyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-2-ylthio))-3-oxob utanoate, ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
| Molecular Formula | C13H16N4O3S |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 1.35554 |
| Topological Polar Surface Area | 86.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.0943 |
| Heavy Atoms | 21 |
| Complexity | 683.3514 |
Chemical Identifiers
| CAS Number | 831237-83-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NN2C(=CC(=NC2=N1)C)C |
Product Overview
Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate (CAS 831237-83-3), with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol. IUPAC: ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate
Property Insights of Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate
The XLogP value of 1.35554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate. The TPSA of 86.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate has 0 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 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate?
The CAS number of Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate is 831237-83-3.
What is the molecular formula of Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate?
The molecular formula of Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate is C13H16N4O3S.
What is the molecular weight of Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate?
The molecular weight of Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate is 308.09 g/mol.
Where can I buy Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate?
You can request a quote for Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.