6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one
TL;DR: 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one (CAS 689759-05-5) is a chemical compound with molecular formula C27H26N4O4S and molecular weight 502.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]-3-(2-phenylethyl)quinazolin-4-one
Also Known As: 6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-3,4-dihydroquinazolin-4-one, F3168-2453, 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one, 6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]-3-(2-phenylethyl)quinazolin-4-one, 6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one
| Molecular Formula | C27H26N4O4S |
|---|---|
| Molecular Weight | 502.17 g/mol |
| LogP | 4.6763 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.16748 |
| Heavy Atoms | 36 |
| Complexity | 1417.9156 |
Chemical Identifiers
| CAS Number | 689759-05-5 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one (CAS 689759-05-5), with molecular formula C27H26N4O4S and molecular weight 502.17 g/mol. IUPAC: 6-morpholin-4-yl-2-[(4-nitrophenyl)methylsulfanyl]-3-(2-phenylethyl)quinazolin-4-one.
Chemical Property Profile of 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one
Property Insights of 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one
The XLogP value of 4.6763 indicates that 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one. Following Lipinski's Rule of Five, 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one?
The CAS number of 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one is 689759-05-5.
What is the molecular formula of 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one?
The molecular formula of 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one is C27H26N4O4S.
What is the molecular weight of 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one?
The molecular weight of 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one is 502.17 g/mol.
Where can I buy 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one?
You can request a quote for 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-morpholino-2-((4-nitrobenzyl)thio)-3-phenethylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.