RefChem:276888
TL;DR: RefChem:276888 (CAS 55831-72-6) is a chemical compound with molecular formula C17H20ClNO5 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-5-hydroxy-2-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate
Also Known As: 4-Chloro-5-hydroxy-2-methyl-6-(morpholinomethyl)-3-benzofurancarboxylic acid ethyl ester, 3-Benzofurancarboxylic acid, 4-chloro-5-hydroxy-2-methyl-6-(morpholinomethyl)-, ethyl ester, Ethyl 4-chloro-5-hydroxy-2-methyl-6-[(morpholin-4-yl)methyl]-1-benzofuran-3-carboxylate, ethyl 4-chloro-5-hydroxy-2-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate, BRN 1224730
| Molecular Formula | C17H20ClNO5 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.103 |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 55831-72-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN3CCOCC3)O)Cl)C |
| InChIKey | OFLKTCIOLCBSLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:276888 (CAS 55831-72-6), with molecular formula C17H20ClNO5 and molecular weight 353.10 g/mol. IUPAC: ethyl 4-chloro-5-hydroxy-2-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate.
Chemical Property Profile of RefChem:276888
Property Insights of RefChem:276888
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:276888. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:276888. Following Lipinski's Rule of Five, RefChem:276888 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:276888?
The CAS number of RefChem:276888 is 55831-72-6.
What is the molecular formula of RefChem:276888?
The molecular formula of RefChem:276888 is C17H20ClNO5.
What is the molecular weight of RefChem:276888?
The molecular weight of RefChem:276888 is 353.10 g/mol.
Where can I buy RefChem:276888?
You can request a quote for RefChem:276888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276888?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.