Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate
TL;DR: Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate (CAS 100451-24-9) is a chemical compound with molecular formula C13H19N3O2S and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-4-piperidin-1-ylpyrimidine-5-carboxylate
Also Known As: ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate, 7N-511S, ethyl 2-(methylsulfanyl)-4-piperidino-5-pyrimidinecarboxylate, BAS 00317800, ethyl 2-methylsulfanyl-4-piperidin-1-ylpyrimidine-5-carboxylate
| Molecular Formula | C13H19N3O2S |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.3655 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1198 |
| Heavy Atoms | 19 |
| Complexity | 447.51453 |
Chemical Identifiers
| CAS Number | 100451-24-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N2CCCCC2)SC |
Product Overview
Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate (CAS 100451-24-9), with molecular formula C13H19N3O2S and molecular weight 281.12 g/mol. IUPAC: ethyl 2-methylsulfanyl-4-piperidin-1-ylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate
Property Insights of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate
The XLogP value of 2.3655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate. With a topological polar surface area (TPSA) of 55.32 Ų, Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate 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-(piperidin-1-yl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate is 100451-24-9.
What is the molecular formula of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate is C13H19N3O2S.
What is the molecular weight of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate is 281.12 g/mol.
Where can I buy Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)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 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(methylsulfanyl)-4-(piperidin-1-yl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.