RefChem:276894
TL;DR: RefChem:276894 (CAS 65919-88-2) is a chemical compound with molecular formula C16H20ClNO5 and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride
Also Known As: 5-Hydroxy-2-(morpholinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride, 2-(Morpholinomethyl)-3-carboethoxy-5-hydroxybenzofuran hydrochloride, 3-Benzofurancarboxylic acid, 5-hydroxy-2-(morpholinomethyl)-, ethyl ester, hydrochloride, ethyl 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate;chloride, ETHYL5-HYDROXY-2-(MORPHOLIN-4-IUM-4-YLMETHYL)-1-BENZOFURAN-3-CARBOXYLATECHLORIDE
| Molecular Formula | C16H20ClNO5 |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | -2.27 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.103 |
| Heavy Atoms | 23 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 65919-88-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCOCC3.[Cl-] |
| InChIKey | JDJPOMPOKOSDAA-UHFFFAOYSA-N |
Product Overview
RefChem:276894 (CAS 65919-88-2), with molecular formula C16H20ClNO5 and molecular weight 341.10 g/mol. IUPAC: ethyl 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride.
Chemical Property Profile of RefChem:276894
Property Insights of RefChem:276894
The XLogP value of -2.27 indicates that RefChem:276894 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:276894. Following Lipinski's Rule of Five, RefChem:276894 has 2 hydrogen bond donor(s) and 6 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 RefChem:276894?
The CAS number of RefChem:276894 is 65919-88-2.
What is the molecular formula of RefChem:276894?
The molecular formula of RefChem:276894 is C16H20ClNO5.
What is the molecular weight of RefChem:276894?
The molecular weight of RefChem:276894 is 341.10 g/mol.
Where can I buy RefChem:276894?
You can request a quote for RefChem:276894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276894?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.