RefChem:276905
TL;DR: RefChem:276905 (CAS 65919-84-8) is a chemical compound with molecular formula C18H24BrClN2O4 and molecular weight 446.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-carboxylate chloride
Also Known As: 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-4-((4-methyl-1-piperazinyl)methyl)-, ethyl ester, hydrochloride, ETHYL6-BROMO-5-HYDROXY-2-METHYL-4-[(4-METHYLPIPERAZIN-4-IUM-1-YL)METHYL]-1-BENZOFURAN-3-CARBOXYLATE CHLORIDE, 3-BENZOFURANCARBOXYLIC ACID, 6-BROMO-5-HYDROXY-2-METHYL-4-((4-METHYL-1-PIPERAZIN, ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-carboxylate chloride, RefChem:276905
| Molecular Formula | C18H24BrClN2O4 |
|---|---|
| Molecular Weight | 446.06 g/mol |
| LogP | -1.28 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.0608 |
| Heavy Atoms | 26 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 65919-84-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN3CC[NH+](CC3)C)O)Br)C.[Cl-] |
| InChIKey | SGTLIRULLQAQMD-UHFFFAOYSA-N |
Product Overview
RefChem:276905 (CAS 65919-84-8), with molecular formula C18H24BrClN2O4 and molecular weight 446.06 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-carboxylate chloride.
Chemical Property Profile of RefChem:276905
Property Insights of RefChem:276905
The XLogP value of -1.28 indicates that RefChem:276905 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:276905. Following Lipinski's Rule of Five, RefChem:276905 has 2 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:276905?
The CAS number of RefChem:276905 is 65919-84-8.
What is the molecular formula of RefChem:276905?
The molecular formula of RefChem:276905 is C18H24BrClN2O4.
What is the molecular weight of RefChem:276905?
The molecular weight of RefChem:276905 is 446.06 g/mol.
Where can I buy RefChem:276905?
You can request a quote for RefChem:276905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276905?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.