![ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate structure](/static/products/579/5790-19-2.png)
ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
TL;DR: ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate (CAS 5790-19-2) is a chemical compound with molecular formula C12H14N4O3S2 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-3-oxobutanoate
Also Known As: ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate, A0278/0012627, ethyl 4-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-3-oxobutanoate, ethyl 4-{[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio}-3-oxobutanoate, Ethyl 4-{[5-cyano-2-imino-6-(methylsulfanyl)-1,2-dihydropyrimidin-4-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C12H14N4O3S2 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 1.26678 |
| Topological Polar Surface Area | 118.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.05072 |
| Heavy Atoms | 21 |
| Complexity | 586.60065 |
Chemical Identifiers
| CAS Number | 5790-19-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC(=NC(=C1C#N)SC)N |
Product Overview
ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate (CAS 5790-19-2), with molecular formula C12H14N4O3S2 and molecular weight 326.05 g/mol. IUPAC: ethyl 4-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-3-oxobutanoate.
Chemical Property Profile of ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
Property Insights of ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
The XLogP value of 1.26678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate. The TPSA of 118.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate has 1 hydrogen bond donor(s) and 9 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-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate?
The CAS number of ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate is 5790-19-2.
What is the molecular formula of ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate?
The molecular formula of ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate is C12H14N4O3S2.
What is the molecular weight of ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate?
The molecular weight of ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate is 326.05 g/mol.
Where can I buy ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate?
You can request a quote for ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-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-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.