RefChem:276890
TL;DR: RefChem:276890 (CAS 55878-90-5) is a chemical compound with molecular formula C20H20ClNO4 and molecular weight 373.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Also Known As: 4-Chloro-6-dimethylaminomethyl-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester, 3-Benzofurancarboxylic acid, 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-phenyl-, ethylester, ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate, Ethyl 4-chloro-6-((dimethylamino)methyl)-5-hydroxy-2-phenylbenzofuran-3-carboxylate, 3-BENZOFURANCARBOXYLIC ACID, 4-CHLORO-6-(DIMETHYLAMINOMETHYL)-5-HYDROXY-2-PHENYL
| Molecular Formula | C20H20ClNO4 |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.1081 |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 55878-90-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)Cl)C3=CC=CC=C3 |
| InChIKey | LGCMAHMPEBOPGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:276890 (CAS 55878-90-5), with molecular formula C20H20ClNO4 and molecular weight 373.11 g/mol. IUPAC: ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of RefChem:276890
Property Insights of RefChem:276890
The XLogP value of 4.3 indicates that RefChem:276890 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:276890. Following Lipinski's Rule of Five, RefChem:276890 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:276890?
The CAS number of RefChem:276890 is 55878-90-5.
What is the molecular formula of RefChem:276890?
The molecular formula of RefChem:276890 is C20H20ClNO4.
What is the molecular weight of RefChem:276890?
The molecular weight of RefChem:276890 is 373.11 g/mol.
Where can I buy RefChem:276890?
You can request a quote for RefChem:276890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276890?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.