N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine
TL;DR: N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine (CAS 688355-68-2) is a chemical compound with molecular formula C21H15FN4O2S and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine
Also Known As: N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine, N-(4-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine, N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine, F6548-4615
| Molecular Formula | C21H15FN4O2S |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 5.713 |
| Topological Polar Surface Area | 80.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.08997 |
| Heavy Atoms | 29 |
| Complexity | 1167.6398 |
Chemical Identifiers
| CAS Number | 688355-68-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=C(C=C4)F |
Product Overview
N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine (CAS 688355-68-2), with molecular formula C21H15FN4O2S and molecular weight 406.09 g/mol. IUPAC: N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine.
Chemical Property Profile of N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine
Property Insights of N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine
The XLogP value of 5.713 indicates that N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine?
The CAS number of N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine is 688355-68-2.
What is the molecular formula of N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine?
The molecular formula of N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine is C21H15FN4O2S.
What is the molecular weight of N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine?
The molecular weight of N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine is 406.09 g/mol.
Where can I buy N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine?
You can request a quote for N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.