Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate
TL;DR: Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate (CAS 349540-80-3) is a chemical compound with molecular formula C17H23NO4S and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-methoxy-4-methylsulfanylbenzoyl)piperidine-3-carboxylate
Also Known As: ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate, ethyl 1-(2-methoxy-4-methylsulfanylbenzoyl)piperidine-3-carboxylate, ethyl 1-[2-methoxy-4-(methylthio)benzoyl]-3-piperidinecarboxylate, ethyl 1-[(2-methoxy-4-methylthiophenyl)carbonyl]piperidine-3-carboxylate, ETHYL 1-[2-METHOXY-4-(METHYLSULFANYL)BENZOYL]-3-PIPERIDINECARBOXYLATE
| Molecular Formula | C17H23NO4S |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 2.8324 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.13477 |
| Heavy Atoms | 23 |
| Complexity | 575.71185 |
Chemical Identifiers
| CAS Number | 349540-80-3 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(C=C2)SC)OC |
Product Overview
Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate (CAS 349540-80-3), with molecular formula C17H23NO4S and molecular weight 337.13 g/mol. IUPAC: ethyl 1-(2-methoxy-4-methylsulfanylbenzoyl)piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate
Property Insights of Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate
The XLogP value of 2.8324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate?
The CAS number of Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate is 349540-80-3.
What is the molecular formula of Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate?
The molecular formula of Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate is C17H23NO4S.
What is the molecular weight of Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate?
The molecular weight of Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate is 337.13 g/mol.
Where can I buy Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate?
You can request a quote for Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-methoxy-4-(methylthio)benzoyl)piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.