Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate
TL;DR: Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate (CAS 183994-36-7) is a chemical compound with molecular formula C13H19NO2S and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(thiophen-2-ylmethyl)piperidine-4-carboxylate
Also Known As: BAS 00638612, AB00077878-01, ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate, ethyl N-(thien-2-ylmethyl)piperidin-4-ylcarboxylate, ethyl 1-(thiophen-2-ylmethyl)piperidine-4-carboxylate
| Molecular Formula | C13H19NO2S |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.11365 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 183994-36-7 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC2=CC=CS2 |
| InChIKey | UBCSCAXMOIOQCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate (CAS 183994-36-7), with molecular formula C13H19NO2S and molecular weight 253.11 g/mol. IUPAC: ethyl 1-(thiophen-2-ylmethyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate
Property Insights of Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate. With a topological polar surface area (TPSA) of 57.8 Ų, Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(2-thienylmethyl)-4-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-thienylmethyl)-4-piperidinecarboxylate?
The CAS number of Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate is 183994-36-7.
What is the molecular formula of Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate is C13H19NO2S.
What is the molecular weight of Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate is 253.11 g/mol.
Where can I buy Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-(2-thienylmethyl)-4-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-thienylmethyl)-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-thienylmethyl)-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.