AF-399/41178811
TL;DR: AF-399/41178811 (CAS 442557-47-3) is a chemical compound with molecular formula C28H27N3O3 and molecular weight 453.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: AF-399/41178811, (E)-2-(3-(4-cinnamylpiperazin-1-yl)-3-oxopropyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 3-(3-oxo-3-{4-[(2Z)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione, 2-{3-oxo-3-[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C28H27N3O3 |
|---|---|
| Molecular Weight | 453.21 g/mol |
| LogP | 3.6835 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.20523 |
| Heavy Atoms | 34 |
| Complexity | 1209.6364 |
Chemical Identifiers
| CAS Number | 442557-47-3 |
|---|---|
| SMILES | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
AF-399/41178811 (CAS 442557-47-3), with molecular formula C28H27N3O3 and molecular weight 453.21 g/mol. IUPAC: 2-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of AF-399/41178811
Property Insights of AF-399/41178811
The XLogP value of 3.6835 indicates that AF-399/41178811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41178811. Following Lipinski's Rule of Five, AF-399/41178811 has 0 hydrogen bond donor(s) and 4 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 AF-399/41178811?
The CAS number of AF-399/41178811 is 442557-47-3.
What is the molecular formula of AF-399/41178811?
The molecular formula of AF-399/41178811 is C28H27N3O3.
What is the molecular weight of AF-399/41178811?
The molecular weight of AF-399/41178811 is 453.21 g/mol.
Where can I buy AF-399/41178811?
You can request a quote for AF-399/41178811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41178811?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41178811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.