AF-399/41767620
TL;DR: AF-399/41767620 (CAS 496776-58-0) is a chemical compound with molecular formula C26H24ClN3O3 and molecular weight 461.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
Also Known As: AF-399/41767620, 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione, 2-{4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C26H24ClN3O3 |
|---|---|
| Molecular Weight | 461.15 g/mol |
| LogP | 4.2182 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.1506 |
| Heavy Atoms | 33 |
| Complexity | 1199.7656 |
Chemical Identifiers
| CAS Number | 496776-58-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
AF-399/41767620 (CAS 496776-58-0), with molecular formula C26H24ClN3O3 and molecular weight 461.15 g/mol. IUPAC: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of AF-399/41767620
Property Insights of AF-399/41767620
The XLogP value of 4.2182 indicates that AF-399/41767620 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-399/41767620. Following Lipinski's Rule of Five, AF-399/41767620 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-399/41767620?
The CAS number of AF-399/41767620 is 496776-58-0.
What is the molecular formula of AF-399/41767620?
The molecular formula of AF-399/41767620 is C26H24ClN3O3.
What is the molecular weight of AF-399/41767620?
The molecular weight of AF-399/41767620 is 461.15 g/mol.
Where can I buy AF-399/41767620?
You can request a quote for AF-399/41767620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41767620?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41767620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.