![Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate structure](/static/products/860/860788-08-5.png)
Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS 860788-08-5) is a chemical compound with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[cyanomethyl(methyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: 1P-503S, ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate, ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate, ethyl 4-[cyanomethyl(methyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate, ethyl 4-[cyanomethyl(methyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate
| Molecular Formula | C11H14N4O2S |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.33498 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.08374 |
| Heavy Atoms | 18 |
| Complexity | 472.6013 |
Chemical Identifiers
| CAS Number | 860788-08-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N(C)CC#N)SC |
Product Overview
Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate (CAS 860788-08-5), with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol. IUPAC: ethyl 4-[cyanomethyl(methyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate
The XLogP value of 1.33498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate. The TPSA of 79.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate 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-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate is 860788-08-5.
What is the molecular formula of Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate is C11H14N4O2S.
What is the molecular weight of Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate is 266.08 g/mol.
Where can I buy Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(cyanomethyl)(methyl)amino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.