3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone
TL;DR: 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone (CAS 1056-84-4) is a chemical compound with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)quinazolin-4(3H)-one, 3-(4-chlorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one, 3-(4-chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3h)-quinazolinone, 3-(4-Chloro-phenyl)-2-(4-nitro-benzylsulfanyl)-3H-quinazolin-4-one, 3-(4-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-4(3H)-quinazolinone
| Molecular Formula | C21H14ClN3O3S |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 5.2396 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.04443 |
| Heavy Atoms | 29 |
| Complexity | 1255.1511 |
Chemical Identifiers
| CAS Number | 1056-84-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl |
Product Overview
3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone (CAS 1056-84-4), with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol. IUPAC: 3-(4-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone
Property Insights of 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone
The XLogP value of 5.2396 indicates that 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
The CAS number of 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone is 1056-84-4.
What is the molecular formula of 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
The molecular formula of 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone is C21H14ClN3O3S.
What is the molecular weight of 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
The molecular weight of 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone is 423.04 g/mol.
Where can I buy 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
You can request a quote for 3-(4-Chlorophenyl)-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-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.