Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate
TL;DR: Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate (CAS 401631-75-2) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate
Also Known As: BAS 01530398, ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate, 3-Piperidin-1-ylmethyl-benzofuran-2-carboxylic acid ethyl ester
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 3.5954 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 625.99695 |
Chemical Identifiers
| CAS Number | 401631-75-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCCCC3 |
Product Overview
Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate (CAS 401631-75-2), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate
Property Insights of Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate
The XLogP value of 3.5954 indicates that Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.68 Ų, Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate 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 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate is 401631-75-2.
What is the molecular formula of Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate is C17H21NO3.
What is the molecular weight of Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate is 287.15 g/mol.
Where can I buy Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.