3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone
TL;DR: 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone (CAS 1059-78-5) is a chemical compound with molecular formula C23H19N3O4S and molecular weight 433.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: SALOR-INT L416983-1EA, 3-(4-ETHOXYPHENYL)-2-((4-NITROBENZYL)THIO)-4(3H)-QUINAZOLINONE, 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)quinazolin-4(3H)-one, 3-(4-ethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one, 3-(4-ethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
| Molecular Formula | C23H19N3O4S |
|---|---|
| Molecular Weight | 433.11 g/mol |
| LogP | 4.9849 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.10962 |
| Heavy Atoms | 31 |
| Complexity | 1285.212 |
Chemical Identifiers
| CAS Number | 1059-78-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone (CAS 1059-78-5), with molecular formula C23H19N3O4S and molecular weight 433.11 g/mol. IUPAC: 3-(4-ethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone
Property Insights of 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone
The XLogP value of 4.9849 indicates that 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone 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 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
The CAS number of 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone is 1059-78-5.
What is the molecular formula of 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
The molecular formula of 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone is C23H19N3O4S.
What is the molecular weight of 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
The molecular weight of 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone is 433.11 g/mol.
Where can I buy 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
You can request a quote for 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethoxyphenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.