RefChem:276898
TL;DR: RefChem:276898 (CAS 56879-61-9) is a chemical compound with molecular formula C17H22ClNO5 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride
Also Known As: 5-Methoxy-2-(morpholinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride, 2-(Morpholinomethyl)-3-carboethoxy-5-methoxybenzofuran hydrochloride, 3-Benzofurancarboxylic acid, 5-methoxy-2-(morpholinomethyl)-, ethyl ester, hydrochloride, ETHYL5-METHOXY-2-(MORPHOLIN-4-IUM-4-YLMETHYL)-1-BENZOFURAN-3-CARBOXYLATECHLORIDE, ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride
| Molecular Formula | C17H22ClNO5 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | -1.96 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.11865 |
| Heavy Atoms | 24 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 56879-61-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCOCC3.[Cl-] |
| InChIKey | OKEBISFYIUPKTQ-UHFFFAOYSA-N |
Product Overview
RefChem:276898 (CAS 56879-61-9), with molecular formula C17H22ClNO5 and molecular weight 355.12 g/mol. IUPAC: ethyl 5-methoxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride.
Chemical Property Profile of RefChem:276898
Property Insights of RefChem:276898
The XLogP value of -1.96 indicates that RefChem:276898 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:276898. Following Lipinski's Rule of Five, RefChem:276898 has 1 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:276898?
The CAS number of RefChem:276898 is 56879-61-9.
What is the molecular formula of RefChem:276898?
The molecular formula of RefChem:276898 is C17H22ClNO5.
What is the molecular weight of RefChem:276898?
The molecular weight of RefChem:276898 is 355.12 g/mol.
Where can I buy RefChem:276898?
You can request a quote for RefChem:276898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276898?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.