5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride
TL;DR: 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride (CAS 65919-86-0) is a chemical compound with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
Also Known As: 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride, 2-(Piperidinomethyl)-3-carboethoxy-5-hydroxybenzofuran hydrochloride, ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate;chloride, 3-Benzofurancarboxylic acid, 5-hydroxy-2-(piperidinomethyl)-, ethyl ester, hydrochloride, ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
| Molecular Formula | C17H22ClNO4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | -1.11 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.12375 |
| Heavy Atoms | 23 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 65919-86-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCCCC3.[Cl-] |
| InChIKey | JUJANCYNMBONLM-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride (CAS 65919-86-0), with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol. IUPAC: ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride.
Chemical Property Profile of 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride
Property Insights of 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride
The XLogP value of -1.11 indicates that 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride. Following Lipinski's Rule of Five, 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride has 2 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 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride?
The CAS number of 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride is 65919-86-0.
What is the molecular formula of 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride?
The molecular formula of 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride is C17H22ClNO4.
What is the molecular weight of 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride?
The molecular weight of 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride is 339.12 g/mol.
Where can I buy 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride?
You can request a quote for 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-2-(piperidinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.