![3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one structure](/static/products/577/577987-88-3.png)
3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
TL;DR: 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one (CAS 577987-88-3) is a chemical compound with molecular formula C22H16Cl2N2O2S and molecular weight 442.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methoxy]-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one
Also Known As: 3-[(3-chlorophenyl)methoxy]-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one, 3-((3-chlorobenzyl)oxy)-2-((3-chlorobenzyl)thio)quinazolin-4(3H)-one, 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
| Molecular Formula | C22H16Cl2N2O2S |
|---|---|
| Molecular Weight | 442.03 g/mol |
| LogP | 5.6244 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.03094 |
| Heavy Atoms | 29 |
| Complexity | 1226.8188 |
Chemical Identifiers
| CAS Number | 577987-88-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)OCC4=CC(=CC=C4)Cl |
Product Overview
3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one (CAS 577987-88-3), with molecular formula C22H16Cl2N2O2S and molecular weight 442.03 g/mol. IUPAC: 3-[(3-chlorophenyl)methoxy]-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Property Insights of 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
The XLogP value of 5.6244 indicates that 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one?
The CAS number of 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one is 577987-88-3.
What is the molecular formula of 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one?
The molecular formula of 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one is C22H16Cl2N2O2S.
What is the molecular weight of 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one?
The molecular weight of 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one is 442.03 g/mol.
Where can I buy 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one?
You can request a quote for 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-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 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.