Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate
TL;DR: Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate (CAS 211230-35-2) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate, Avanafil impurity 2, AVANAFIL IMPURITY 8, Avanafil Related Compound 3, AVANAFIL IMPURITY 18
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.9959 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 662.12006 |
Chemical Identifiers
| CAS Number | 211230-35-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NCC2=CC=C(C=C2)OC)SC |
Product Overview
Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate (CAS 211230-35-2), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: ethyl 4-[(4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate
Property Insights of Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate
The XLogP value of 2.9959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-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 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate is 211230-35-2.
What is the molecular formula of Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate is C16H19N3O3S.
What is the molecular weight of Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate is 333.11 g/mol.
Where can I buy Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.