AF-399/41178784
TL;DR: AF-399/41178784 (CAS 442557-39-3) is a chemical compound with molecular formula C27H28N4O3S and molecular weight 488.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
Also Known As: AF-399/41178784, F1161-0005, 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide, 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide, 4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
| Molecular Formula | C27H28N4O3S |
|---|---|
| Molecular Weight | 488.19 g/mol |
| LogP | 3.8491 |
| Topological Polar Surface Area | 65.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.1882 |
| Heavy Atoms | 35 |
| Complexity | 1218.4115 |
Chemical Identifiers
| CAS Number | 442557-39-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
AF-399/41178784 (CAS 442557-39-3), with molecular formula C27H28N4O3S and molecular weight 488.19 g/mol. IUPAC: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of AF-399/41178784
Property Insights of AF-399/41178784
The XLogP value of 3.8491 indicates that AF-399/41178784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41178784. Following Lipinski's Rule of Five, AF-399/41178784 has 1 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 AF-399/41178784?
The CAS number of AF-399/41178784 is 442557-39-3.
What is the molecular formula of AF-399/41178784?
The molecular formula of AF-399/41178784 is C27H28N4O3S.
What is the molecular weight of AF-399/41178784?
The molecular weight of AF-399/41178784 is 488.19 g/mol.
Where can I buy AF-399/41178784?
You can request a quote for AF-399/41178784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41178784?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41178784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.