F0057-0004
TL;DR: F0057-0004 (CAS 391219-59-3) is a chemical compound with molecular formula C25H30N2O4 and molecular weight 422.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl pentanoate
Also Known As: F0057-0004, 3-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)propyl pentanoate, 3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl pentanoate, 3-[2,4-dioxo-10-(piperidin-1-yl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl]propyl pentanoate
| Molecular Formula | C25H30N2O4 |
|---|---|
| Molecular Weight | 422.22 g/mol |
| LogP | 4.5496 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.22055 |
| Heavy Atoms | 31 |
| Complexity | 972.1747 |
Chemical Identifiers
| CAS Number | 391219-59-3 |
|---|---|
| SMILES | CCCCC(=O)OCCCN1C(=O)C2=C3C(=C(C=C2)N4CCCCC4)C=CC=C3C1=O |
Product Overview
F0057-0004 (CAS 391219-59-3), with molecular formula C25H30N2O4 and molecular weight 422.22 g/mol. IUPAC: 3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl pentanoate.
Chemical Property Profile of F0057-0004
Property Insights of F0057-0004
The XLogP value of 4.5496 indicates that F0057-0004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0057-0004. Following Lipinski's Rule of Five, F0057-0004 has 0 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 F0057-0004?
The CAS number of F0057-0004 is 391219-59-3.
What is the molecular formula of F0057-0004?
The molecular formula of F0057-0004 is C25H30N2O4.
What is the molecular weight of F0057-0004?
The molecular weight of F0057-0004 is 422.22 g/mol.
Where can I buy F0057-0004?
You can request a quote for F0057-0004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0057-0004?
Yes, KEHONG BIO provides custom synthesis services for F0057-0004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.