RefChem:276887
TL;DR: RefChem:276887 (CAS 55831-73-7) is a chemical compound with molecular formula C18H23ClN2O4 and molecular weight 366.13 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-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Also Known As: 5-23-02-00517 (Beilstein Handbook Reference), 3-Benzofurancarboxylic acid, 4-chloro-5-hydroxy-2-methyl-6-((4-methyl-1-piperazinyl)methyl)-, ethyl ester, ethyl 4-chloro-5-hydroxy-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate, 4-Chloro-5-hydroxy-2-methyl-6-[(4-methyl-1-piperazinyl)methyl]-3-benzofurancarboxylic acid ethyl ester, BRN 0896602
| Molecular Formula | C18H23ClN2O4 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.13464 |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 55831-73-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN3CCN(CC3)C)O)Cl)C |
| InChIKey | GJWHAXNIKLQMGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:276887 (CAS 55831-73-7), with molecular formula C18H23ClN2O4 and molecular weight 366.13 g/mol. IUPAC: ethyl 4-chloro-5-hydroxy-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate.
Chemical Property Profile of RefChem:276887
Property Insights of RefChem:276887
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:276887. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:276887. Following Lipinski's Rule of Five, RefChem:276887 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:276887?
The CAS number of RefChem:276887 is 55831-73-7.
What is the molecular formula of RefChem:276887?
The molecular formula of RefChem:276887 is C18H23ClN2O4.
What is the molecular weight of RefChem:276887?
The molecular weight of RefChem:276887 is 366.13 g/mol.
Where can I buy RefChem:276887?
You can request a quote for RefChem:276887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276887?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.