F1161-0041
TL;DR: F1161-0041 (CAS 442557-48-4) is a chemical compound with molecular formula C26H25N3O4 and molecular weight 443.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
Also Known As: F1161-0041, 2-(3-(4-(4-methoxyphenyl)piperazin-1-yl)-3-oxopropyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, AF-399/41178810, 2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]benzo[de]isoquinoline-1,3-dione, 3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
| Molecular Formula | C26H25N3O4 |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 3.1833 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.1845 |
| Heavy Atoms | 33 |
| Complexity | 1179.2705 |
Chemical Identifiers
| CAS Number | 442557-48-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
F1161-0041 (CAS 442557-48-4), with molecular formula C26H25N3O4 and molecular weight 443.18 g/mol. IUPAC: 2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of F1161-0041
Property Insights of F1161-0041
The XLogP value of 3.1833 indicates that F1161-0041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for F1161-0041. Following Lipinski's Rule of Five, F1161-0041 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 F1161-0041?
The CAS number of F1161-0041 is 442557-48-4.
What is the molecular formula of F1161-0041?
The molecular formula of F1161-0041 is C26H25N3O4.
What is the molecular weight of F1161-0041?
The molecular weight of F1161-0041 is 443.18 g/mol.
Where can I buy F1161-0041?
You can request a quote for F1161-0041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1161-0041?
Yes, KEHONG BIO provides custom synthesis services for F1161-0041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.