Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate
TL;DR: Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate (CAS 310454-56-9) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
Also Known As: ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate, ethyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate, AH-034/36854062, ethyl (2-thiophenecarbonyl)-3-piperidinecarboxylate, ethyl 1-(2-thienylcarbonyl)piperidine-3-carboxylate
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.1634 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 415.88068 |
Chemical Identifiers
| CAS Number | 310454-56-9 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CS2 |
Product Overview
Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate (CAS 310454-56-9), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: ethyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate
Property Insights of Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate
The XLogP value of 2.1634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate has 0 hydrogen bond donor(s) and 4 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-thienylcarbonyl)-3-piperidinecarboxylate?
The CAS number of Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate is 310454-56-9.
What is the molecular formula of Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate?
The molecular formula of Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate is C13H17NO3S.
What is the molecular weight of Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate?
The molecular weight of Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate is 267.09 g/mol.
Where can I buy Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate?
You can request a quote for Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate 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-thienylcarbonyl)-3-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.