Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate
TL;DR: Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate (CAS 98733-61-0) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-4-naphthalen-2-yloxypyrimidine-5-carboxylate
Also Known As: ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate, ethyl 2-methylsulfanyl-4-naphthalen-2-yloxypyrimidine-5-carboxylate, 5R-1164, ethyl 2-(methylsulfanyl)-4-(naphthalen-2-yloxy)pyrimidine-5-carboxylate, ethyl 2-methylsulfanyl-4-(2-naphthyloxy)pyrimidine-5-carboxylate
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 4.3207 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 883.0218 |
Chemical Identifiers
| CAS Number | 98733-61-0 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1OC2=CC3=CC=CC=C3C=C2)SC |
Product Overview
Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate (CAS 98733-61-0), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: ethyl 2-methylsulfanyl-4-naphthalen-2-yloxypyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate
Property Insights of Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate
The XLogP value of 4.3207 indicates that Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate has 0 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 Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate is 98733-61-0.
What is the molecular formula of Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate is C18H16N2O3S.
What is the molecular weight of Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate is 340.09 g/mol.
Where can I buy Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-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 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(methylsulfanyl)-4-(2-naphthyloxy)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.