IFLab1_001065
TL;DR: IFLab1_001065 (CAS 382610-35-7) is a chemical compound with molecular formula C23H26N2O4 and molecular weight 394.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
Also Known As: IFLab1_001065, IDI1_008932, ethyl 5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate, 5-Hydroxy-4-(4-methyl-piperazin-1-ylmethyl)-2-phenyl-benzofuran-3-carboxylic acid ethyl ester, 5-hydroxy-4-[(4-methylpiperazino)methyl]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester
| Molecular Formula | C23H26N2O4 |
|---|---|
| Molecular Weight | 394.19 g/mol |
| LogP | 3.7295 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.18927 |
| Heavy Atoms | 29 |
| Complexity | 1004.6398 |
Chemical Identifiers
| CAS Number | 382610-35-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC=CC=C4 |
Product Overview
IFLab1_001065 (CAS 382610-35-7), with molecular formula C23H26N2O4 and molecular weight 394.19 g/mol. IUPAC: ethyl 5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of IFLab1_001065
Property Insights of IFLab1_001065
The XLogP value of 3.7295 indicates that IFLab1_001065 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001065. Following Lipinski's Rule of Five, IFLab1_001065 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 IFLab1_001065?
The CAS number of IFLab1_001065 is 382610-35-7.
What is the molecular formula of IFLab1_001065?
The molecular formula of IFLab1_001065 is C23H26N2O4.
What is the molecular weight of IFLab1_001065?
The molecular weight of IFLab1_001065 is 394.19 g/mol.
Where can I buy IFLab1_001065?
You can request a quote for IFLab1_001065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001065?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.