2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one
TL;DR: 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one (CAS 1688-86-4) is a chemical compound with molecular formula C23H20N2O2S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one
Also Known As: 2-benzylsulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one, 2-(benzylthio)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one, 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one
| Molecular Formula | C23H20N2O2S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 5.0767 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.12454 |
| Heavy Atoms | 28 |
| Complexity | 1138.8231 |
Chemical Identifiers
| CAS Number | 1688-86-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4 |
Product Overview
2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one (CAS 1688-86-4), with molecular formula C23H20N2O2S and molecular weight 388.12 g/mol. IUPAC: 2-benzylsulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one
Property Insights of 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one
The XLogP value of 5.0767 indicates that 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)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, 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)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 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
The CAS number of 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one is 1688-86-4.
What is the molecular formula of 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
The molecular formula of 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one is C23H20N2O2S.
What is the molecular weight of 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
The molecular weight of 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one is 388.12 g/mol.
Where can I buy 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
You can request a quote for 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)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-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.