IFLab1_004818
TL;DR: IFLab1_004818 (CAS 438488-36-9) is a chemical compound with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
Also Known As: IFLab1_004818, IDI1_010573, AF-399/40910457, F1094-0271, ethyl 4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate
| Molecular Formula | C23H28N2O4 |
|---|---|
| Molecular Weight | 396.20 g/mol |
| LogP | 3.91422 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.2049 |
| Heavy Atoms | 29 |
| Complexity | 1048.1343 |
Chemical Identifiers
| CAS Number | 438488-36-9 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=C(C3=CC=CC=C3C4=C2C(=C(O4)C)C(=O)OCC)O |
Product Overview
IFLab1_004818 (CAS 438488-36-9), with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol. IUPAC: ethyl 4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate.
Chemical Property Profile of IFLab1_004818
Property Insights of IFLab1_004818
The XLogP value of 3.91422 indicates that IFLab1_004818 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_004818. Following Lipinski's Rule of Five, IFLab1_004818 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_004818?
The CAS number of IFLab1_004818 is 438488-36-9.
What is the molecular formula of IFLab1_004818?
The molecular formula of IFLab1_004818 is C23H28N2O4.
What is the molecular weight of IFLab1_004818?
The molecular weight of IFLab1_004818 is 396.20 g/mol.
Where can I buy IFLab1_004818?
You can request a quote for IFLab1_004818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004818?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.