RefChem:276889
TL;DR: RefChem:276889 (CAS 55831-71-5) 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 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: 3-Benzofurancarboxylic acid, 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-, ethyl ester, 4-Chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-3-benzofurancarboxylic acid ethyl ester, ETHYL 4-CHLORO-6-[(DIETHYLAMINO)METHYL]-5-HYDROXY-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE, ETHYL4-CHLORO-6-(DIETHYLAMINOMETHYL)-5-HYDROXY-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE, ethyl 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C17H22ClNO4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.12375 |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 55831-71-5 |
|---|---|
| SMILES | CCN(CC)CC1=CC2=C(C(=C(O2)C)C(=O)OCC)C(=C1O)Cl |
| InChIKey | JESDSQFJPIFGTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:276889 (CAS 55831-71-5), with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol. IUPAC: ethyl 4-chloro-6-(diethylaminomethyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of RefChem:276889
Property Insights of RefChem:276889
The XLogP value of 3.8 indicates that RefChem:276889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:276889. Following Lipinski's Rule of Five, RefChem:276889 has 1 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 RefChem:276889?
The CAS number of RefChem:276889 is 55831-71-5.
What is the molecular formula of RefChem:276889?
The molecular formula of RefChem:276889 is C17H22ClNO4.
What is the molecular weight of RefChem:276889?
The molecular weight of RefChem:276889 is 339.12 g/mol.
Where can I buy RefChem:276889?
You can request a quote for RefChem:276889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276889?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.