Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate
TL;DR: Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate (CAS 339019-53-3) is a chemical compound with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
Also Known As: ethyl 2-(methylsulfanyl)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate, ethyl 2-(methylsulfanyl)-4-(pyrrolidin-1-yl)pyrimidine-5-carboxylate, ethyl 2-methylsulfanyl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate, Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate, ethyl 2-methylsulfanyl-4-pyrrolidin-1-yl-pyrimidine-5-carboxylate
| Molecular Formula | C12H17N3O2S |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 1.9754 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.10416 |
| Heavy Atoms | 18 |
| Complexity | 433.33075 |
Chemical Identifiers
| CAS Number | 339019-53-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N2CCCC2)SC |
Product Overview
Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate (CAS 339019-53-3), with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol. IUPAC: ethyl 2-methylsulfanyl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate
Property Insights of Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate
The XLogP value of 1.9754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate. With a topological polar surface area (TPSA) of 55.32 Ų, Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-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-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate is 339019-53-3.
What is the molecular formula of Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate is C12H17N3O2S.
What is the molecular weight of Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate is 267.10 g/mol.
Where can I buy Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-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-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(methylthio)-4-(1-pyrrolidinyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.