AF-399/40932866
TL;DR: AF-399/40932866 (CAS 442557-33-7) is a chemical compound with molecular formula C30H35N3O4 and molecular weight 501.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: AF-399/40932866, 3-[2-(4-{2-hydroxy-3-[2-(propan-2-yl)phenoxy]propyl}piperazin-1-yl)ethyl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione, F1125-0035, 2-[2-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-(4-(2-hydroxy-3-(2-isopropylphenoxy)propyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C30H35N3O4 |
|---|---|
| Molecular Weight | 501.26 g/mol |
| LogP | 3.6167 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.26276 |
| Heavy Atoms | 37 |
| Complexity | 1232.0615 |
Chemical Identifiers
| CAS Number | 442557-33-7 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O |
Product Overview
AF-399/40932866 (CAS 442557-33-7), with molecular formula C30H35N3O4 and molecular weight 501.26 g/mol. IUPAC: 2-[2-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of AF-399/40932866
Property Insights of AF-399/40932866
The XLogP value of 3.6167 indicates that AF-399/40932866 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40932866. Following Lipinski's Rule of Five, AF-399/40932866 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40932866?
The CAS number of AF-399/40932866 is 442557-33-7.
What is the molecular formula of AF-399/40932866?
The molecular formula of AF-399/40932866 is C30H35N3O4.
What is the molecular weight of AF-399/40932866?
The molecular weight of AF-399/40932866 is 501.26 g/mol.
Where can I buy AF-399/40932866?
You can request a quote for AF-399/40932866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40932866?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40932866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.