AF-399/41048978
TL;DR: AF-399/41048978 (CAS 433308-51-1) is a chemical compound with molecular formula C27H25FN4O4 and molecular weight 488.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-3-nitro-1-phenylquinolin-2-one
Also Known As: AF-399/41048978, 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-3-nitro-1-phenylquinolin-2-one, 4-[4-(5-fluoro-2-methoxybenzyl)-1-piperazinyl]-3-nitro-1-phenyl-2(1H)-quinolinone, 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one, 4-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-3-nitro-1-phenylquinolin-2(1H)-one
| Molecular Formula | C27H25FN4O4 |
|---|---|
| Molecular Weight | 488.19 g/mol |
| LogP | 4.3688 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.18597 |
| Heavy Atoms | 36 |
| Complexity | 1480.8818 |
Chemical Identifiers
| CAS Number | 433308-51-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)F)CN2CCN(CC2)C3=C(C(=O)N(C4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
AF-399/41048978 (CAS 433308-51-1), with molecular formula C27H25FN4O4 and molecular weight 488.19 g/mol. IUPAC: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-3-nitro-1-phenylquinolin-2-one.
Chemical Property Profile of AF-399/41048978
Property Insights of AF-399/41048978
The XLogP value of 4.3688 indicates that AF-399/41048978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41048978. Following Lipinski's Rule of Five, AF-399/41048978 has 0 hydrogen bond donor(s) and 6 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-399/41048978?
The CAS number of AF-399/41048978 is 433308-51-1.
What is the molecular formula of AF-399/41048978?
The molecular formula of AF-399/41048978 is C27H25FN4O4.
What is the molecular weight of AF-399/41048978?
The molecular weight of AF-399/41048978 is 488.19 g/mol.
Where can I buy AF-399/41048978?
You can request a quote for AF-399/41048978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41048978?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41048978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.