AF-399/41178785
TL;DR: AF-399/41178785 (CAS 442557-38-2) is a chemical compound with molecular formula C26H26N4O2S and molecular weight 458.18 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-methylphenyl)piperazine-1-carbothioamide
Also Known As: AF-399/41178785, 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(p-tolyl)piperazine-1-carbothioamide, 4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide, F1161-0004, 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carbothioamide
| Molecular Formula | C26H26N4O2S |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 3.75882 |
| Topological Polar Surface Area | 55.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.17764 |
| Heavy Atoms | 33 |
| Complexity | 1182.0254 |
Chemical Identifiers
| CAS Number | 442557-38-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
AF-399/41178785 (CAS 442557-38-2), with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol. IUPAC: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of AF-399/41178785
Property Insights of AF-399/41178785
The XLogP value of 3.75882 indicates that AF-399/41178785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.89 Ų, AF-399/41178785 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41178785 has 1 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-399/41178785?
The CAS number of AF-399/41178785 is 442557-38-2.
What is the molecular formula of AF-399/41178785?
The molecular formula of AF-399/41178785 is C26H26N4O2S.
What is the molecular weight of AF-399/41178785?
The molecular weight of AF-399/41178785 is 458.18 g/mol.
Where can I buy AF-399/41178785?
You can request a quote for AF-399/41178785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41178785?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41178785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.