2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine
TL;DR: 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine (CAS 422532-35-2) is a chemical compound with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine
Also Known As: 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine, 2-{[(3-nitrophenyl)methyl]sulfanyl}-N-(2-phenylethyl)quinazolin-4-amine, F6548-4450, 2-[(3-nitrophenyl)methylsulfanyl]-N-phenethyl-quinazolin-4-amine, 2-[(3-nitrophenyl)methylsulfanyl]-N-phenethylquinazolin-4-amine
| Molecular Formula | C23H20N4O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 5.4849 |
| Topological Polar Surface Area | 80.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.1307 |
| Heavy Atoms | 30 |
| Complexity | 1168.1837 |
Chemical Identifiers
| CAS Number | 422532-35-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine (CAS 422532-35-2), with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol. IUPAC: 2-[(3-nitrophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine.
Chemical Property Profile of 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine
Property Insights of 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine
The XLogP value of 5.4849 indicates that 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-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 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine. Following Lipinski's Rule of Five, 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-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 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine?
The CAS number of 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine is 422532-35-2.
What is the molecular formula of 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine?
The molecular formula of 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine is C23H20N4O2S.
What is the molecular weight of 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine?
The molecular weight of 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine is 416.13 g/mol.
Where can I buy 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine?
You can request a quote for 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-nitrobenzyl)thio)-N-phenethylquinazolin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.