3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone
TL;DR: 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone (CAS 476484-66-9) is a chemical compound with molecular formula C21H13Cl3N2OS and molecular weight 445.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: 3-(4-Chlorophenyl)-2-((2,6-dichlorobenzyl)thio)quinazolin-4(3H)-one, 3-(4-chlorophenyl)-2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one, 3-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]quinazolin-4-one, 3-(4-Chlorophenyl)-2-[[(2,6-dichlorophenyl)methyl]thio]-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-[[(2,6-dichlorophenyl)methyl]thio]-
| Molecular Formula | C21H13Cl3N2OS |
|---|---|
| Molecular Weight | 445.98 g/mol |
| LogP | 6.6382 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.9814 |
| Heavy Atoms | 28 |
| Complexity | 1202.4764 |
Chemical Identifiers
| CAS Number | 476484-66-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)Cl)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone (CAS 476484-66-9), with molecular formula C21H13Cl3N2OS and molecular weight 445.98 g/mol. IUPAC: 3-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone
Property Insights of 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone
The XLogP value of 6.6382 indicates that 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone has 0 hydrogen bond donor(s) and 3 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-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone?
The CAS number of 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone is 476484-66-9.
What is the molecular formula of 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone?
The molecular formula of 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone is C21H13Cl3N2OS.
What is the molecular weight of 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone?
The molecular weight of 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone is 445.98 g/mol.
Where can I buy 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone?
You can request a quote for 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)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-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-2-(((2,6-dichlorophenyl)methyl)thio)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.