AF-399/41178823
TL;DR: AF-399/41178823 (CAS 438481-44-8) is a chemical compound with molecular formula C26H26N2O5 and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
Also Known As: AF-399/41178823, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide, F1161-0047, N-(3,4-dimethoxyphenethyl)-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
| Molecular Formula | C26H26N2O5 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 3.5921 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.18417 |
| Heavy Atoms | 33 |
| Complexity | 1169.7778 |
Chemical Identifiers
| CAS Number | 438481-44-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)OC |
Product Overview
AF-399/41178823 (CAS 438481-44-8), with molecular formula C26H26N2O5 and molecular weight 446.18 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide.
Chemical Property Profile of AF-399/41178823
Property Insights of AF-399/41178823
The XLogP value of 3.5921 indicates that AF-399/41178823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41178823. Following Lipinski's Rule of Five, AF-399/41178823 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-399/41178823?
The CAS number of AF-399/41178823 is 438481-44-8.
What is the molecular formula of AF-399/41178823?
The molecular formula of AF-399/41178823 is C26H26N2O5.
What is the molecular weight of AF-399/41178823?
The molecular weight of AF-399/41178823 is 446.18 g/mol.
Where can I buy AF-399/41178823?
You can request a quote for AF-399/41178823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41178823?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41178823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.