2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one
TL;DR: 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one (CAS 443347-96-4) is a chemical compound with molecular formula C25H22ClFN2O3S and molecular weight 484.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one
Also Known As: F0916-4078, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroquinazolin-4-one, 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one, 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one
| Molecular Formula | C25H22ClFN2O3S |
|---|---|
| Molecular Weight | 484.10 g/mol |
| LogP | 5.7412 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.10236 |
| Heavy Atoms | 33 |
| Complexity | 1339.3064 |
Chemical Identifiers
| CAS Number | 443347-96-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F)OC |
Product Overview
2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one (CAS 443347-96-4), with molecular formula C25H22ClFN2O3S and molecular weight 484.10 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one.
Chemical Property Profile of 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one
Property Insights of 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one
The XLogP value of 5.7412 indicates that 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)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 53.35 Ų, 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one 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 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one?
The CAS number of 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one is 443347-96-4.
What is the molecular formula of 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one?
The molecular formula of 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one is C25H22ClFN2O3S.
What is the molecular weight of 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one?
The molecular weight of 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one is 484.10 g/mol.
Where can I buy 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one?
You can request a quote for 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)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 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-chloro-6-fluorobenzyl)thio)-3-(3,4-dimethoxyphenethyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.